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

C23H33N3O — CID 121313879

IUPAC(4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
SMILESCc1cccc2ccc(N3CC[C@H](C(=O)N[C@H](C)C(C)C)C(C)(C)C3)nc12
InChIInChI=1S/C23H33N3O/c1-15(2)17(4)24-22(27)19-12-13-26(14-23(19,5)6)20-11-10-18-9-7-8-16(3)21(18)25-20/h7-11,15,17,19H,12-14H2,1-6H3,(H,24,27)/t17-,19-/m1/s1
InChIKeyBHSFBOJPHKXDOI-IEBWSBKVSA-N
MW367.54 g/mol
LogP4.56
Rot. Bonds4

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

(4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide (PubChem CID 121313879) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is (4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
PubChem CID121313879
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name(4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
SMILESCc1cccc2ccc(N3CC[C@H](C(=O)N[C@H](C)C(C)C)C(C)(C)C3)nc12
InChIInChI=1S/C23H33N3O/c1-15(2)17(4)24-22(27)19-12-13-26(14-23(19,5)6)20-11-10-18-9-7-8-16(3)21(18)25-20/h7-11,15,17,19H,12-14H2,1-6H3,(H,24,27)/t17-,19-/m1/s1
InChIKeyBHSFBOJPHKXDOI-IEBWSBKVSA-N
XLogP4.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-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

4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
CID 5067281
N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
CID 146018719
3-[2-Amino-6-(2-Methylphenyl)quinolin-3-Yl]-N-Cyclohexylpropanamide
CID 53236890
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide
CID 53236891
(2r)-3-[2-Amino-6-(3-Methylpyridin-2-Yl)quinolin-3-Yl]-N-(3,3-Dimethylbutyl)-2-Methylpropanamide
CID 53465991
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
N-(2-quinolinyl)cyclohexanecarboxamide
CID 2812969
N-cyclohexyl-4-methylquinolin-2-amine
CID 777799
Mesmar
CID 3025767

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide?
The IUPAC name of (4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide (CID 121313879) is (4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for (4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for (4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide is Cc1cccc2ccc(N3CC[C@H](C(=O)N[C@H](C)C(C)C)C(C)(C)C3)nc12.
What is the InChIKey of (4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide?
The InChIKey is BHSFBOJPHKXDOI-IEBWSBKVSA-N. The full InChI is InChI=1S/C23H33N3O/c1-15(2)17(4)24-22(27)19-12-13-26(14-23(19,5)6)20-11-10-18-9-7-8-16(3)21(18)25-20/h7-11,15,17,19H,12-14H2,1-6H3,(H,24,27)/t17-,19-/m1/s1.
What are the key properties of (4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide?
(4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide has a molecular weight of 367.54 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121313879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).