N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide

C26H32ClN3O3 — CID 25176559

IUPACN-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide
SMILESCC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cccnc2)CC[C@]1(O)c1ccc(Cl)cc1
InChIInChI=1S/C26H32ClN3O3/c1-25(2)17-30(15-13-26(25,33)19-9-11-20(27)12-10-19)24(32)21-7-3-4-8-22(21)29-23(31)18-6-5-14-28-16-18/h5-6,9-12,14,16,21-22,33H,3-4,7-8,13,15,17H2,1-2H3,(H,29,31)/t21-,22+,26-/m0/s1
InChIKeySJZIBCMJDNWTHA-VRUMLPLGSA-N
MW470.01 g/mol
LogP4.17
Rot. Bonds4

About N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide

N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 25176559) has the molecular formula C26H32ClN3O3 and a molecular weight of 470.01 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID25176559
Molecular FormulaC26H32ClN3O3
Molecular Weight470.01 g/mol
Exact Mass469.21
IUPAC NameN-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide
SMILESCC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cccnc2)CC[C@]1(O)c1ccc(Cl)cc1
InChIInChI=1S/C26H32ClN3O3/c1-25(2)17-30(15-13-26(25,33)19-9-11-20(27)12-10-19)24(32)21-7-3-4-8-22(21)29-23(31)18-6-5-14-28-16-18/h5-6,9-12,14,16,21-22,33H,3-4,7-8,13,15,17H2,1-2H3,(H,29,31)/t21-,22+,26-/m0/s1
InChIKeySJZIBCMJDNWTHA-VRUMLPLGSA-N
XLogP4.17
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.01
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(1-Adamantylmethylcarbamoyl)-4-chlorophenyl]pyridine-3-carboxylic acid
CID 11546350
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 57889158
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 57889291
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pyridin-4-ylacetamide
CID 57889764
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide
CID 57889979
((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2H)-yl)(6-methylpyridin-3-yl)methanone
CID 52918124
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(6-cyclopropyl-3-pyridinyl)methanone
CID 54585148
N-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide
CID 73350585
N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide
CID 73355055
N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyrimidine-5-carboxamide
CID 25174305
N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide
CID 59444266
1-(4-chlorophenyl)-N-({1-[(2-methyl-3-pyridinyl)carbonyl]-3-piperidinyl}methyl)cyclopropanecarboxamide
CID 16191975

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide (CID 25176559) is N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide is CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cccnc2)CC[C@]1(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is SJZIBCMJDNWTHA-VRUMLPLGSA-N. The full InChI is InChI=1S/C26H32ClN3O3/c1-25(2)17-30(15-13-26(25,33)19-9-11-20(27)12-10-19)24(32)21-7-3-4-8-22(21)29-23(31)18-6-5-14-28-16-18/h5-6,9-12,14,16,21-22,33H,3-4,7-8,13,15,17H2,1-2H3,(H,29,31)/t21-,22+,26-/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide?
N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 470.01 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 25176559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).