N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide

C98H144F9N19O21S6 — CID 159061760

IUPACN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2c(F)cc(F)cc2F)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1.COc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C21H33FN4O4S.C16H22F3N3O4S.C16H25N3O4S.C15H20F3N3O3S.2C15H22FN3O3S/c1-14(2)31(28,29)24-17-7-9-25(10-8-17)21(27)23-18-5-6-20(19(22)11-18)26-12-15(3)30-16(4)13-26;1-11(2)27(24,25)21-13-7-9-22(10-8-13)15(23)20-12-3-5-14(6-4-12)26-16(17,18)19;1-12(2)24(21,22)18-14-8-10-19(11-9-14)16(20)17-13-4-6-15(23-3)7-5-13;1-9(2)25(23,24)20-11-3-5-21(6-4-11)15(22)19-14-12(17)7-10(16)8-13(14)18;1-11(2)23(21,22)18-13-6-8-19(9-7-13)15(20)17-14-5-3-4-12(16)10-14;1-11(2)23(21,22)18-12-7-9-19(10-8-12)15(20)17-14-6-4-3-5-13(14)16/h5-6,11,14-17,24H,7-10,12-13H2,1-4H3,(H,23,27);3-6,11,13,21H,7-10H2,1-2H3,(H,20,23);4-7,12,14,18H,8-11H2,1-3H3,(H,17,20);7-9,11,20H,3-6H2,1-2H3,(H,19,22);3-5,10-11,13,18H,6-9H2,1-2H3,(H,17,20);3-6,11-12,18H,7-10H2,1-2H3,(H,17,20)/t15-,16+;;;;;
InChIKeyJYOFCBQYZIXAOF-OKZBWPRMSA-N
MW2287.73 g/mol
LogP14.42
Rot. Bonds27

About N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide

N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide (PubChem CID 159061760) has the molecular formula C98H144F9N19O21S6 and a molecular weight of 2287.73 g/mol. Its IUPAC name is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide
PubChem CID159061760
Molecular FormulaC98H144F9N19O21S6
Molecular Weight2287.73 g/mol
Exact Mass2285.90
IUPAC NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2c(F)cc(F)cc2F)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1.COc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C21H33FN4O4S.C16H22F3N3O4S.C16H25N3O4S.C15H20F3N3O3S.2C15H22FN3O3S/c1-14(2)31(28,29)24-17-7-9-25(10-8-17)21(27)23-18-5-6-20(19(22)11-18)26-12-15(3)30-16(4)13-26;1-11(2)27(24,25)21-13-7-9-22(10-8-13)15(23)20-12-3-5-14(6-4-12)26-16(17,18)19;1-12(2)24(21,22)18-14-8-10-19(11-9-14)16(20)17-13-4-6-15(23-3)7-5-13;1-9(2)25(23,24)20-11-3-5-21(6-4-11)15(22)19-14-12(17)7-10(16)8-13(14)18;1-11(2)23(21,22)18-13-6-8-19(9-7-13)15(20)17-14-5-3-4-12(16)10-14;1-11(2)23(21,22)18-12-7-9-19(10-8-12)15(20)17-14-6-4-3-5-13(14)16/h5-6,11,14-17,24H,7-10,12-13H2,1-4H3,(H,23,27);3-6,11,13,21H,7-10H2,1-2H3,(H,20,23);4-7,12,14,18H,8-11H2,1-3H3,(H,17,20);7-9,11,20H,3-6H2,1-2H3,(H,19,22);3-5,10-11,13,18H,6-9H2,1-2H3,(H,17,20);3-6,11-12,18H,7-10H2,1-2H3,(H,17,20)/t15-,16+;;;;;
InChIKeyJYOFCBQYZIXAOF-OKZBWPRMSA-N
XLogP14.42
TPSA501.99 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002287.73
LogP ≤ 514.42
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide?
The IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide (CID 159061760) is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide is CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2c(F)cc(F)cc2F)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1.COc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc1.
What is the InChIKey of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide?
The InChIKey is JYOFCBQYZIXAOF-OKZBWPRMSA-N. The full InChI is InChI=1S/C21H33FN4O4S.C16H22F3N3O4S.C16H25N3O4S.C15H20F3N3O3S.2C15H22FN3O3S/c1-14(2)31(28,29)24-17-7-9-25(10-8-17)21(27)23-18-5-6-20(19(22)11-18)26-12-15(3)30-16(4)13-26;1-11(2)27(24,25)21-13-7-9-22(10-8-13)15(23)20-12-3-5-14(6-4-12)26-16(17,18)19;1-12(2)24(21,22)18-14-8-10-19(11-9-14)16(20)17-13-4-6-15(23-3)7-5-13;1-9(2)25(23,24)20-11-3-5-21(6-4-11)15(22)19-14-12(17)7-10(16)8-13(14)18;1-11(2)23(21,22)18-13-6-8-19(9-7-13)15(20)17-14-5-3-4-12(16)10-14;1-11(2)23(21,22)18-12-7-9-19(10-8-12)15(20)17-14-6-4-3-5-13(14)16/h5-6,11,14-17,24H,7-10,12-13H2,1-4H3,(H,23,27);3-6,11,13,21H,7-10H2,1-2H3,(H,20,23);4-7,12,14,18H,8-11H2,1-3H3,(H,17,20);7-9,11,20H,3-6H2,1-2H3,(H,19,22);3-5,10-11,13,18H,6-9H2,1-2H3,(H,17,20);3-6,11-12,18H,7-10H2,1-2H3,(H,17,20)/t15-,16+;;;;;.
What are the key properties of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide?
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide has a molecular weight of 2287.73 g/mol, XLogP of 14.42, 27 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 159061760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).