(4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide

C26H37N3O2 — CID 121313883

IUPAC(4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide
SMILESCc1ccc(C)c2nc(N3CC[C@H](C(=O)NC4CCC(CO)CC4)C(C)(C)C3)ccc12
InChIInChI=1S/C26H37N3O2/c1-17-5-6-18(2)24-21(17)11-12-23(28-24)29-14-13-22(26(3,4)16-29)25(31)27-20-9-7-19(15-30)8-10-20/h5-6,11-12,19-20,22,30H,7-10,13-16H2,1-4H3,(H,27,31)/t19?,20?,22-/m1/s1
InChIKeyOFTMGURLIDLAPU-QETWGEEDSA-N
MW423.60 g/mol
LogP4.37
Rot. Bonds4

About (4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide

(4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide (PubChem CID 121313883) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is (4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide
PubChem CID121313883
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name(4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide
SMILESCc1ccc(C)c2nc(N3CC[C@H](C(=O)NC4CCC(CO)CC4)C(C)(C)C3)ccc12
InChIInChI=1S/C26H37N3O2/c1-17-5-6-18(2)24-21(17)11-12-23(28-24)29-14-13-22(26(3,4)16-29)25(31)27-20-9-7-19(15-30)8-10-20/h5-6,11-12,19-20,22,30H,7-10,13-16H2,1-4H3,(H,27,31)/t19?,20?,22-/m1/s1
InChIKeyOFTMGURLIDLAPU-QETWGEEDSA-N
XLogP4.37
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide with MolForge

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Related Compounds

1,5-Anhydro-2,3,4-Trideoxy-3-{[(4s)-3,3-Dimethyl-1-(8-Methylquinolin-2-Yl)piperidine-4-Carbonyl]amino}-D-Erythro-Hexitol
CID 121313704
(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
(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide
CID 121313869
(4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 121313879
(4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide
CID 121313882
(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxolan-3-yl]piperidine-4-carboxamide
CID 134141201
N'-butan-2-yl-N-[2-(3,5-dimethyl-1-piperidinyl)-4-methyl-6-quinolinyl]butanediamide
CID 15996185
(4R)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide
CID 134146838
1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 50825503
N-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide
CID 71860402
N-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide
CID 71978071

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide?
The IUPAC name of (4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide (CID 121313883) is (4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for (4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide?
The canonical SMILES for (4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide is Cc1ccc(C)c2nc(N3CC[C@H](C(=O)NC4CCC(CO)CC4)C(C)(C)C3)ccc12.
What is the InChIKey of (4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide?
The InChIKey is OFTMGURLIDLAPU-QETWGEEDSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-17-5-6-18(2)24-21(17)11-12-23(28-24)29-14-13-22(26(3,4)16-29)25(31)27-20-9-7-19(15-30)8-10-20/h5-6,11-12,19-20,22,30H,7-10,13-16H2,1-4H3,(H,27,31)/t19?,20?,22-/m1/s1.
What are the key properties of (4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide?
(4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide has a molecular weight of 423.60 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(5,8-dimethylquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 121313883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).