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

C23H31N3O2 — CID 121313869

IUPAC(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide
SMILESCc1cccc2ccc(N3CC[C@H](C(=O)N[C@H]4CCCOC4)C(C)(C)C3)nc12
InChIInChI=1S/C23H31N3O2/c1-16-6-4-7-17-9-10-20(25-21(16)17)26-12-11-19(23(2,3)15-26)22(27)24-18-8-5-13-28-14-18/h4,6-7,9-10,18-19H,5,8,11-15H2,1-3H3,(H,24,27)/t18-,19+/m0/s1
InChIKeyICJRISDNVMMCKO-RBUKOAKNSA-N
MW381.52 g/mol
LogP3.69
Rot. Bonds3

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

(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide (PubChem CID 121313869) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is (4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide
PubChem CID121313869
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide
SMILESCc1cccc2ccc(N3CC[C@H](C(=O)N[C@H]4CCCOC4)C(C)(C)C3)nc12
InChIInChI=1S/C23H31N3O2/c1-16-6-4-7-17-9-10-20(25-21(16)17)26-12-11-19(23(2,3)15-26)22(27)24-18-8-5-13-28-14-18/h4,6-7,9-10,18-19H,5,8,11-15H2,1-3H3,(H,24,27)/t18-,19+/m0/s1
InChIKeyICJRISDNVMMCKO-RBUKOAKNSA-N
XLogP3.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
CID 5067281
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
4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide
CID 3237927
N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]cyclopropanecarboxamide
CID 16003777
N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-4-propylcyclohexane-1-carboxamide
CID 16759188
N-[3-(diethylamino)propyl]-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]succinamide
CID 16188839
(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 53465990
(4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 121313879
2-(morpholin-4-yl)-N-phenylquinoline-4-carboxamide
CID 659782
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxo-4-piperidin-1-ylbutanamide
CID 3236035

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide?
The IUPAC name of (4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide (CID 121313869) is (4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for (4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for (4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide is Cc1cccc2ccc(N3CC[C@H](C(=O)N[C@H]4CCCOC4)C(C)(C)C3)nc12.
What is the InChIKey of (4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide?
The InChIKey is ICJRISDNVMMCKO-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-16-6-4-7-17-9-10-20(25-21(16)17)26-12-11-19(23(2,3)15-26)22(27)24-18-8-5-13-28-14-18/h4,6-7,9-10,18-19H,5,8,11-15H2,1-3H3,(H,24,27)/t18-,19+/m0/s1.
What are the key properties of (4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide?
(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121313869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).