N-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C140H161ClF3N17O19 — CID 158468427

IUPACN-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCC1CN(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c2ccccc2O1.CCC1CN(C(=O)N2CCC(C(=O)Nc3cccc(OC)c3)CC2)c2ccccc2O1.CCc1ccc(NC(=O)C2CCN(C(=O)N3CC(C)Oc4ccccc43)CC2)cc1.CCc1cccc(NC(=O)C2CCN(C(=O)N3CC(CC)Oc4ccccc43)CC2)c1.COc1ccc(NC(=O)C2CCN(C(=O)N3CCOc4ccccc43)CC2)cc1.O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C25H31N3O3.C24H29N3O4.C24H29N3O3.C23H26ClN3O3.C22H21F3N2O2.C22H25N3O4/c1-3-18-8-7-9-20(16-18)26-24(29)19-12-14-27(15-13-19)25(30)28-17-21(4-2)31-23-11-6-5-10-22(23)28;1-3-19-16-27(21-9-4-5-10-22(21)31-19)24(29)26-13-11-17(12-14-26)23(28)25-18-7-6-8-20(15-18)30-2;1-3-18-8-10-20(11-9-18)25-23(28)19-12-14-26(15-13-19)24(29)27-16-17(2)30-22-7-5-4-6-21(22)27;1-2-19-15-27(20-8-3-4-9-21(20)30-19)23(29)26-12-10-16(11-13-26)22(28)25-18-7-5-6-17(24)14-18;23-22(24,25)18-7-4-8-19(15-18)26-21(29)17-11-13-27(14-12-17)20(28)10-9-16-5-2-1-3-6-16;1-28-18-8-6-17(7-9-18)23-21(26)16-10-12-24(13-11-16)22(27)25-14-15-29-20-5-3-2-4-19(20)25/h5-11,16,19,21H,3-4,12-15,17H2,1-2H3,(H,26,29);4-10,15,17,19H,3,11-14,16H2,1-2H3,(H,25,28);4-11,17,19H,3,12-16H2,1-2H3,(H,25,28);3-9,14,16,19H,2,10-13,15H2,1H3,(H,25,28);1-10,15,17H,11-14H2,(H,26,29);2-9,16H,10-15H2,1H3,(H,23,26)/b;;;;10-9+;
InChIKeyHGAYJXKDBAQYTC-OSJMAUFHSA-N
MW2478.37 g/mol
LogP25.90
Rot. Bonds21

About N-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

N-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 158468427) has the molecular formula C140H161ClF3N17O19 and a molecular weight of 2478.37 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID158468427
Molecular FormulaC140H161ClF3N17O19
Molecular Weight2478.37 g/mol
Exact Mass2476.18
IUPAC NameN-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCC1CN(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c2ccccc2O1.CCC1CN(C(=O)N2CCC(C(=O)Nc3cccc(OC)c3)CC2)c2ccccc2O1.CCc1ccc(NC(=O)C2CCN(C(=O)N3CC(C)Oc4ccccc43)CC2)cc1.CCc1cccc(NC(=O)C2CCN(C(=O)N3CC(CC)Oc4ccccc43)CC2)c1.COc1ccc(NC(=O)C2CCN(C(=O)N3CCOc4ccccc43)CC2)cc1.O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C25H31N3O3.C24H29N3O4.C24H29N3O3.C23H26ClN3O3.C22H21F3N2O2.C22H25N3O4/c1-3-18-8-7-9-20(16-18)26-24(29)19-12-14-27(15-13-19)25(30)28-17-21(4-2)31-23-11-6-5-10-22(23)28;1-3-19-16-27(21-9-4-5-10-22(21)31-19)24(29)26-13-11-17(12-14-26)23(28)25-18-7-6-8-20(15-18)30-2;1-3-18-8-10-20(11-9-18)25-23(28)19-12-14-26(15-13-19)24(29)27-16-17(2)30-22-7-5-4-6-21(22)27;1-2-19-15-27(20-8-3-4-9-21(20)30-19)23(29)26-12-10-16(11-13-26)22(28)25-18-7-5-6-17(24)14-18;23-22(24,25)18-7-4-8-19(15-18)26-21(29)17-11-13-27(14-12-17)20(28)10-9-16-5-2-1-3-6-16;1-28-18-8-6-17(7-9-18)23-21(26)16-10-12-24(13-11-16)22(27)25-14-15-29-20-5-3-2-4-19(20)25/h5-11,16,19,21H,3-4,12-15,17H2,1-2H3,(H,26,29);4-10,15,17,19H,3,11-14,16H2,1-2H3,(H,25,28);4-11,17,19H,3,12-16H2,1-2H3,(H,25,28);3-9,14,16,19H,2,10-13,15H2,1H3,(H,25,28);1-10,15,17H,11-14H2,(H,26,29);2-9,16H,10-15H2,1H3,(H,23,26)/b;;;;10-9+;
InChIKeyHGAYJXKDBAQYTC-OSJMAUFHSA-N
XLogP25.90
TPSA377.27 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms180
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002478.37
LogP ≤ 525.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 158468427) is N-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CCC1CN(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c2ccccc2O1.CCC1CN(C(=O)N2CCC(C(=O)Nc3cccc(OC)c3)CC2)c2ccccc2O1.CCc1ccc(NC(=O)C2CCN(C(=O)N3CC(C)Oc4ccccc43)CC2)cc1.CCc1cccc(NC(=O)C2CCN(C(=O)N3CC(CC)Oc4ccccc43)CC2)c1.COc1ccc(NC(=O)C2CCN(C(=O)N3CCOc4ccccc43)CC2)cc1.O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is HGAYJXKDBAQYTC-OSJMAUFHSA-N. The full InChI is InChI=1S/C25H31N3O3.C24H29N3O4.C24H29N3O3.C23H26ClN3O3.C22H21F3N2O2.C22H25N3O4/c1-3-18-8-7-9-20(16-18)26-24(29)19-12-14-27(15-13-19)25(30)28-17-21(4-2)31-23-11-6-5-10-22(23)28;1-3-19-16-27(21-9-4-5-10-22(21)31-19)24(29)26-13-11-17(12-14-26)23(28)25-18-7-6-8-20(15-18)30-2;1-3-18-8-10-20(11-9-18)25-23(28)19-12-14-26(15-13-19)24(29)27-16-17(2)30-22-7-5-4-6-21(22)27;1-2-19-15-27(20-8-3-4-9-21(20)30-19)23(29)26-12-10-16(11-13-26)22(28)25-18-7-5-6-17(24)14-18;23-22(24,25)18-7-4-8-19(15-18)26-21(29)17-11-13-27(14-12-17)20(28)10-9-16-5-2-1-3-6-16;1-28-18-8-6-17(7-9-18)23-21(26)16-10-12-24(13-11-16)22(27)25-14-15-29-20-5-3-2-4-19(20)25/h5-11,16,19,21H,3-4,12-15,17H2,1-2H3,(H,26,29);4-10,15,17,19H,3,11-14,16H2,1-2H3,(H,25,28);4-11,17,19H,3,12-16H2,1-2H3,(H,25,28);3-9,14,16,19H,2,10-13,15H2,1H3,(H,25,28);1-10,15,17H,11-14H2,(H,26,29);2-9,16H,10-15H2,1H3,(H,23,26)/b;;;;10-9+;.
What are the key properties of N-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 2478.37 g/mol, XLogP of 25.90, 21 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide;1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide;N-(4-ethylphenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;1-[(E)-3-phenylprop-2-enoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 158468427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).