1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide

C119H126Cl2FN17O14 — CID 160575243

IUPAC1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCC1CN(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c2ccccc2O1.CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1.CCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(CC)cc2)CC1.COc1ccc(NC(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)cc1.O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1
InChIInChI=1S/C27H27N5O3.C26H24FN5O2.C23H28N2O3.C22H24ClN3O3.C21H23ClN2O3/c1-35-23-11-9-21(10-12-23)29-25(33)20-13-17-31(18-14-20)27(34)24-19-28-32(22-7-3-2-4-8-22)26(24)30-15-5-6-16-30;27-20-7-6-8-21(17-20)29-24(33)19-11-15-31(16-12-19)26(34)23-18-28-32(22-9-2-1-3-10-22)25(23)30-13-4-5-14-30;1-3-17-9-11-19(12-10-17)23(27)25-15-13-18(14-16-25)22(26)24-20-7-5-6-8-21(20)28-4-2;1-15-14-26(19-7-2-3-8-20(19)29-15)22(28)25-11-9-16(10-12-25)21(27)24-18-6-4-5-17(23)13-18;1-2-27-17-9-7-16(8-10-17)23-20(25)15-11-13-24(14-12-15)21(26)18-5-3-4-6-19(18)22/h2-12,15-16,19-20H,13-14,17-18H2,1H3,(H,29,33);1-10,13-14,17-19H,11-12,15-16H2,(H,29,33);5-12,18H,3-4,13-16H2,1-2H3,(H,24,26);2-8,13,15-16H,9-12,14H2,1H3,(H,24,27);3-10,15H,2,11-14H2,1H3,(H,23,25)
InChIKeyRBBFQFYYIPXRFA-UHFFFAOYSA-N
MW2108.33 g/mol
LogP21.22
Rot. Bonds24

About 1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide

1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 160575243) has the molecular formula C119H126Cl2FN17O14 and a molecular weight of 2108.33 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID160575243
Molecular FormulaC119H126Cl2FN17O14
Molecular Weight2108.33 g/mol
Exact Mass2105.90
IUPAC Name1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCC1CN(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c2ccccc2O1.CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1.CCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(CC)cc2)CC1.COc1ccc(NC(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)cc1.O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1
InChIInChI=1S/C27H27N5O3.C26H24FN5O2.C23H28N2O3.C22H24ClN3O3.C21H23ClN2O3/c1-35-23-11-9-21(10-12-23)29-25(33)20-13-17-31(18-14-20)27(34)24-19-28-32(22-7-3-2-4-8-22)26(24)30-15-5-6-16-30;27-20-7-6-8-21(17-20)29-24(33)19-11-15-31(16-12-19)26(34)23-18-28-32(22-9-2-1-3-10-22)25(23)30-13-4-5-14-30;1-3-17-9-11-19(12-10-17)23(27)25-15-13-18(14-16-25)22(26)24-20-7-5-6-8-21(20)28-4-2;1-15-14-26(19-7-2-3-8-20(19)29-15)22(28)25-11-9-16(10-12-25)21(27)24-18-6-4-5-17(23)13-18;1-2-27-17-9-7-16(8-10-17)23-20(25)15-11-13-24(14-12-15)21(26)18-5-3-4-6-19(18)22/h2-12,15-16,19-20H,13-14,17-18H2,1H3,(H,29,33);1-10,13-14,17-19H,11-12,15-16H2,(H,29,33);5-12,18H,3-4,13-16H2,1-2H3,(H,24,26);2-8,13,15-16H,9-12,14H2,1H3,(H,24,27);3-10,15H,2,11-14H2,1H3,(H,23,25)
InChIKeyRBBFQFYYIPXRFA-UHFFFAOYSA-N
XLogP21.22
TPSA332.71 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002108.33
LogP ≤ 521.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide (CID 160575243) is 1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide is CC1CN(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c2ccccc2O1.CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1.CCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(CC)cc2)CC1.COc1ccc(NC(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)cc1.O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is RBBFQFYYIPXRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3.C26H24FN5O2.C23H28N2O3.C22H24ClN3O3.C21H23ClN2O3/c1-35-23-11-9-21(10-12-23)29-25(33)20-13-17-31(18-14-20)27(34)24-19-28-32(22-7-3-2-4-8-22)26(24)30-15-5-6-16-30;27-20-7-6-8-21(17-20)29-24(33)19-11-15-31(16-12-19)26(34)23-18-28-32(22-9-2-1-3-10-22)25(23)30-13-4-5-14-30;1-3-17-9-11-19(12-10-17)23(27)25-15-13-18(14-16-25)22(26)24-20-7-5-6-8-21(20)28-4-2;1-15-14-26(19-7-2-3-8-20(19)29-15)22(28)25-11-9-16(10-12-25)21(27)24-18-6-4-5-17(23)13-18;1-2-27-17-9-7-16(8-10-17)23-20(25)15-11-13-24(14-12-15)21(26)18-5-3-4-6-19(18)22/h2-12,15-16,19-20H,13-14,17-18H2,1H3,(H,29,33);1-10,13-14,17-19H,11-12,15-16H2,(H,29,33);5-12,18H,3-4,13-16H2,1-2H3,(H,24,26);2-8,13,15-16H,9-12,14H2,1H3,(H,24,27);3-10,15H,2,11-14H2,1H3,(H,23,25).
What are the key properties of 1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 2108.33 g/mol, XLogP of 21.22, 24 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-(4-ethoxyphenyl)piperidine-4-carboxamide;N-(3-chlorophenyl)-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide;N-(2-ethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;N-(3-fluorophenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide;N-(4-methoxyphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 160575243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).