(4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide

C25H35N3O2 — CID 121313880

IUPAC(4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
SMILESCc1cccc2ccc(N3CC[C@H](C(=O)NC4CCC(CO)CC4)C(C)(C)C3)nc12
InChIInChI=1S/C25H35N3O2/c1-17-5-4-6-19-9-12-22(27-23(17)19)28-14-13-21(25(2,3)16-28)24(30)26-20-10-7-18(15-29)8-11-20/h4-6,9,12,18,20-21,29H,7-8,10-11,13-16H2,1-3H3,(H,26,30)/t18?,20?,21-/m1/s1
InChIKeyFCBNHGCVOSSSHC-DQVLVPHSSA-N
MW409.57 g/mol
LogP4.06
Rot. Bonds4

About (4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide

(4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide (PubChem CID 121313880) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is (4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
PubChem CID121313880
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name(4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
SMILESCc1cccc2ccc(N3CC[C@H](C(=O)NC4CCC(CO)CC4)C(C)(C)C3)nc12
InChIInChI=1S/C25H35N3O2/c1-17-5-4-6-19-9-12-22(27-23(17)19)28-14-13-21(25(2,3)16-28)24(30)26-20-10-7-18(15-29)8-11-20/h4-6,9,12,18,20-21,29H,7-8,10-11,13-16H2,1-3H3,(H,26,30)/t18?,20?,21-/m1/s1
InChIKeyFCBNHGCVOSSSHC-DQVLVPHSSA-N
XLogP4.06
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-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

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-[(1S,3S)-3-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 121313890
Tert-butyl [(trans-4-{[({2-[4-(2-hydroxyethyl)piperidin-1-yl]quinolin-4-yl}carbonyl)amino]methyl}cyclohexyl)-methyl]carbamate
CID 56679719
(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
N-Butyl-N'-[4-methyl-2-(4-methylpiperidin-1-YL)quinolin-6-YL]butanediamide
CID 16193932
1-[4-[4-(2-Hydroxyethylamino)quinolin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 127044468
(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxolan-3-yl]piperidine-4-carboxamide
CID 134141201
N-[4-[[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-phenylquinazolin-4-yl]amino]cyclohexyl]-3-(propan-2-ylamino)cyclobutane-1-carboxamide
CID 145970751
[4-(Cyclohexylamino)-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-3-yl]methanol
CID 129252244
N'-[4-Methyl-2-(piperidin-1-YL)quinolin-6-YL]-N-(3-methylbutyl)butanediamide
CID 9551597

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide?
The IUPAC name of (4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide (CID 121313880) is (4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for (4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide is Cc1cccc2ccc(N3CC[C@H](C(=O)NC4CCC(CO)CC4)C(C)(C)C3)nc12.
What is the InChIKey of (4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide?
The InChIKey is FCBNHGCVOSSSHC-DQVLVPHSSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-17-5-4-6-19-9-12-22(27-23(17)19)28-14-13-21(25(2,3)16-28)24(30)26-20-10-7-18(15-29)8-11-20/h4-6,9,12,18,20-21,29H,7-8,10-11,13-16H2,1-3H3,(H,26,30)/t18?,20?,21-/m1/s1.
What are the key properties of (4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide?
(4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide has a molecular weight of 409.57 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121313880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).