(4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide

C24H32ClN3O2 — CID 121313882

IUPAC(4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide
SMILESCC1(C)CN(c2ccc3cccc(Cl)c3n2)CC[C@@H]1C(=O)NC1CCC(CO)CC1
InChIInChI=1S/C24H32ClN3O2/c1-24(2)15-28(21-11-8-17-4-3-5-20(25)22(17)27-21)13-12-19(24)23(30)26-18-9-6-16(14-29)7-10-18/h3-5,8,11,16,18-19,29H,6-7,9-10,12-15H2,1-2H3,(H,26,30)/t16?,18?,19-/m1/s1
InChIKeyFSHAZAGZDCHQMH-NKELODKYSA-N
MW429.99 g/mol
LogP4.41
Rot. Bonds4

About (4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide

(4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide (PubChem CID 121313882) has the molecular formula C24H32ClN3O2 and a molecular weight of 429.99 g/mol. Its IUPAC name is (4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide
PubChem CID121313882
Molecular FormulaC24H32ClN3O2
Molecular Weight429.99 g/mol
Exact Mass429.22
IUPAC Name(4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide
SMILESCC1(C)CN(c2ccc3cccc(Cl)c3n2)CC[C@@H]1C(=O)NC1CCC(CO)CC1
InChIInChI=1S/C24H32ClN3O2/c1-24(2)15-28(21-11-8-17-4-3-5-20(25)22(17)27-21)13-12-19(24)23(30)26-18-9-6-16(14-29)7-10-18/h3-5,8,11,16,18-19,29H,6-7,9-10,12-15H2,1-2H3,(H,26,30)/t16?,18?,19-/m1/s1
InChIKeyFSHAZAGZDCHQMH-NKELODKYSA-N
XLogP4.41
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.99
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 121313880
(4S)-N-[(1S,3S)-3-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 121313890
1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxamide
CID 89736260
(4R)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide
CID 134146838
2-[1-(8-Chloroquinolin-2-yl)piperidin-4-yl]ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid
CID 67136986
[2-[1-(8-Chloroquinolin-2-yl)piperidin-4-yl]-2-(methylamino)ethyl]-(2-oxoethyl)carbamic acid
CID 87283945
1-(8-Chloro-2-quinolinyl)-3,3-dimethyl-4-piperidinecarboxylic acid
CID 121305931
(4S)-N-[(1S,3S)-3-(2-hydroxypropan-2-yl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 121313828
(4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide
CID 121313883
(4S)-N-[(1S)-3-(2-hydroxypropan-2-yl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 132133939
1-(8-Chloroquinolin-2-yl)-2,3,3-trimethylpiperidine-4-carboxylic acid
CID 140319067
N-[(1S,3S)-3-(2-hydroxypropan-2-yl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 140906503

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide?
The IUPAC name of (4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide (CID 121313882) is (4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for (4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide?
The canonical SMILES for (4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide is CC1(C)CN(c2ccc3cccc(Cl)c3n2)CC[C@@H]1C(=O)NC1CCC(CO)CC1.
What is the InChIKey of (4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide?
The InChIKey is FSHAZAGZDCHQMH-NKELODKYSA-N. The full InChI is InChI=1S/C24H32ClN3O2/c1-24(2)15-28(21-11-8-17-4-3-5-20(25)22(17)27-21)13-12-19(24)23(30)26-18-9-6-16(14-29)7-10-18/h3-5,8,11,16,18-19,29H,6-7,9-10,12-15H2,1-2H3,(H,26,30)/t16?,18?,19-/m1/s1.
What are the key properties of (4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide?
(4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide has a molecular weight of 429.99 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 121313882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).