N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide

C23H23N3O3 — CID 125444812

IUPACN-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
SMILESCc1cc(=O)c2cc(-c3cccc(C(=O)N[C@H]4CCC(=O)N(C)C4)c3)ccc2[nH]1
InChIInChI=1S/C23H23N3O3/c1-14-10-21(27)19-12-16(6-8-20(19)24-14)15-4-3-5-17(11-15)23(29)25-18-7-9-22(28)26(2)13-18/h3-6,8,10-12,18H,7,9,13H2,1-2H3,(H,24,27)(H,25,29)/t18-/m0/s1
InChIKeyAMPVBIQJEPIWLG-SFHVURJKSA-N
MW389.46 g/mol
LogP2.85
Rot. Bonds3

About N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide

N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide (PubChem CID 125444812) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide.

Molecular Properties

Compound NameN-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
PubChem CID125444812
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
SMILESCc1cc(=O)c2cc(-c3cccc(C(=O)N[C@H]4CCC(=O)N(C)C4)c3)ccc2[nH]1
InChIInChI=1S/C23H23N3O3/c1-14-10-21(27)19-12-16(6-8-20(19)24-14)15-4-3-5-17(11-15)23(29)25-18-7-9-22(28)26(2)13-18/h3-6,8,10-12,18H,7,9,13H2,1-2H3,(H,24,27)(H,25,29)/t18-/m0/s1
InChIKeyAMPVBIQJEPIWLG-SFHVURJKSA-N
XLogP2.85
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
CID 122568138
methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate
CID 119073100
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide
CID 110736530
N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide
CID 64667250
N-(1-methyl-6-oxopiperidin-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 64668240
N-(1-methyl-6-oxopiperidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615091
3-(3-hydroxy-3-methylbutyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 95894196
3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103892579
3-(3-hydroxy-3-methylbutyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 95894197
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64667254
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655889
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 103752814

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide?
The IUPAC name of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide (CID 125444812) is N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide.
What is the SMILES notation for N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide?
The canonical SMILES for N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide is Cc1cc(=O)c2cc(-c3cccc(C(=O)N[C@H]4CCC(=O)N(C)C4)c3)ccc2[nH]1.
What is the InChIKey of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide?
The InChIKey is AMPVBIQJEPIWLG-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-10-21(27)19-12-16(6-8-20(19)24-14)15-4-3-5-17(11-15)23(29)25-18-7-9-22(28)26(2)13-18/h3-6,8,10-12,18H,7,9,13H2,1-2H3,(H,24,27)(H,25,29)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide?
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide has a molecular weight of 389.46 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide is sourced from PubChem (CID 125444812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).