(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide

C18H21N3O2 — CID 95290424

IUPAC(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c2ccccc2n1
InChIInChI=1S/C18H21N3O2/c1-11-9-15(14-5-3-4-6-16(14)20-11)18(23)21-10-13(17(19)22)8-7-12(21)2/h3-6,9,12-13H,7-8,10H2,1-2H3,(H2,19,22)/t12-,13+/m0/s1
InChIKeyQVJOMEOMWFPJTH-QWHCGFSZSA-N
MW311.38 g/mol
LogP2.27
Rot. Bonds2

About (3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide

(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide (PubChem CID 95290424) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide
PubChem CID95290424
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c2ccccc2n1
InChIInChI=1S/C18H21N3O2/c1-11-9-15(14-5-3-4-6-16(14)20-11)18(23)21-10-13(17(19)22)8-7-12(21)2/h3-6,9,12-13H,7-8,10H2,1-2H3,(H2,19,22)/t12-,13+/m0/s1
InChIKeyQVJOMEOMWFPJTH-QWHCGFSZSA-N
XLogP2.27
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564
(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95161082
(3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95274650
(3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide
CID 95151470
(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 92756294
(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119592520
6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide
CID 107026180
1-(2,4-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892090
1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892089
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide (CID 95290424) is (3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide is Cc1cc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c2ccccc2n1.
What is the InChIKey of (3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is QVJOMEOMWFPJTH-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-9-15(14-5-3-4-6-16(14)20-11)18(23)21-10-13(17(19)22)8-7-12(21)2/h3-6,9,12-13H,7-8,10H2,1-2H3,(H2,19,22)/t12-,13+/m0/s1.
What are the key properties of (3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide?
(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 95290424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).