(3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide

C23H30F2N6O2 — CID 134209287

IUPAC(3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cn(-c2ccc(F)cc2F)nn1
InChIInChI=1S/C23H30F2N6O2/c1-29(2)23(33)17-13-30(16-6-4-3-5-7-16)11-10-19(17)26-22(32)20-14-31(28-27-20)21-9-8-15(24)12-18(21)25/h8-9,12,14,16-17,19H,3-7,10-11,13H2,1-2H3,(H,26,32)/t17-,19-/m0/s1
InChIKeyPIOBCFUJVLPSHS-HKUYNNGSSA-N
MW460.53 g/mol
LogP2.39
Rot. Bonds5

About (3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide

(3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 134209287) has the molecular formula C23H30F2N6O2 and a molecular weight of 460.53 g/mol. Its IUPAC name is (3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID134209287
Molecular FormulaC23H30F2N6O2
Molecular Weight460.53 g/mol
Exact Mass460.24
IUPAC Name(3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cn(-c2ccc(F)cc2F)nn1
InChIInChI=1S/C23H30F2N6O2/c1-29(2)23(33)17-13-30(16-6-4-3-5-7-16)11-10-19(17)26-22(32)20-14-31(28-27-20)21-9-8-15(24)12-18(21)25/h8-9,12,14,16-17,19H,3-7,10-11,13H2,1-2H3,(H,26,32)/t17-,19-/m0/s1
InChIKeyPIOBCFUJVLPSHS-HKUYNNGSSA-N
XLogP2.39
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide with MolForge

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Related Compounds

[(1R)-3-methyl-1-[(1-phenyltriazole-4-carbonyl)amino]butyl]boronic acid
CID 155554765
N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide
CID 134218714
1-[1-(2-Fluoro-phenyl)-ethyl]-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-4-ylmethyl)-amide
CID 647546
1-(2-Fluoro-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid [2-(4-ethyl-piperazin-1-yl)-ethyl]-amide
CID 649632
N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 3185083
N-{1-[(cyclopentylamino)carbonyl]cyclohexyl}-N-phenylpyrazine-2-carboxamide
CID 3239061
N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 6483908
1-{[1-(cyclohexylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-2-methyl-4-(4-methylphenyl)piperazine
CID 24818888
4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one
CID 90682479
N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 127396636
1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 162661301
US11306078, Example 1.097
CID 134209331

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide (CID 134209287) is (3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cn(-c2ccc(F)cc2F)nn1.
What is the InChIKey of (3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is PIOBCFUJVLPSHS-HKUYNNGSSA-N. The full InChI is InChI=1S/C23H30F2N6O2/c1-29(2)23(33)17-13-30(16-6-4-3-5-7-16)11-10-19(17)26-22(32)20-14-31(28-27-20)21-9-8-15(24)12-18(21)25/h8-9,12,14,16-17,19H,3-7,10-11,13H2,1-2H3,(H,26,32)/t17-,19-/m0/s1.
What are the key properties of (3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide?
(3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-cyclohexyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 134209287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).