(3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide

C18H22N4O2 — CID 99584331

IUPAC(3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC[C@H](CC(N)=O)C2)c2ncccc2c1
InChIInChI=1S/C18H22N4O2/c1-12-8-14-5-2-6-20-17(14)15(9-12)21-18(24)22-7-3-4-13(11-22)10-16(19)23/h2,5-6,8-9,13H,3-4,7,10-11H2,1H3,(H2,19,23)(H,21,24)/t13-/m1/s1
InChIKeyKCLOLPQLTRFQLW-CYBMUJFWSA-N
MW326.40 g/mol
LogP2.66
Rot. Bonds3

About (3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide

(3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide (PubChem CID 99584331) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide
PubChem CID99584331
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC[C@H](CC(N)=O)C2)c2ncccc2c1
InChIInChI=1S/C18H22N4O2/c1-12-8-14-5-2-6-20-17(14)15(9-12)21-18(24)22-7-3-4-13(11-22)10-16(19)23/h2,5-6,8-9,13H,3-4,7,10-11H2,1H3,(H2,19,23)(H,21,24)/t13-/m1/s1
InChIKeyKCLOLPQLTRFQLW-CYBMUJFWSA-N
XLogP2.66
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99830523
(3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 99715459
(3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide
CID 99581180
1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea
CID 97157122
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide
CID 97333945
N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 91904171
3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid
CID 107228275
3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
CID 154863910
(3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide
CID 99703959
2-[1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62690811
N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71875026
(3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96504613

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide (CID 99584331) is (3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCC[C@H](CC(N)=O)C2)c2ncccc2c1.
What is the InChIKey of (3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide?
The InChIKey is KCLOLPQLTRFQLW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-8-14-5-2-6-20-17(14)15(9-12)21-18(24)22-7-3-4-13(11-22)10-16(19)23/h2,5-6,8-9,13H,3-4,7,10-11H2,1H3,(H2,19,23)(H,21,24)/t13-/m1/s1.
What are the key properties of (3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide?
(3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide is sourced from PubChem (CID 99584331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).