(3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide

C24H25N3O3 — CID 27746161

IUPAC(3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)c(C)nc2c1
InChIInChI=1S/C24H25N3O3/c1-16-21(13-17-10-11-20(30-2)14-22(17)25-16)24(29)27-12-6-7-18(15-27)23(28)26-19-8-4-3-5-9-19/h3-5,8-11,13-14,18H,6-7,12,15H2,1-2H3,(H,26,28)/t18-/m0/s1
InChIKeyOUGMTHUVUAIMIA-SFHVURJKSA-N
MW403.48 g/mol
LogP4.04
Rot. Bonds4

About (3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide

(3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 27746161) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide
PubChem CID27746161
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)c(C)nc2c1
InChIInChI=1S/C24H25N3O3/c1-16-21(13-17-10-11-20(30-2)14-22(17)25-16)24(29)27-12-6-7-18(15-27)23(28)26-19-8-4-3-5-9-19/h3-5,8-11,13-14,18H,6-7,12,15H2,1-2H3,(H,26,28)/t18-/m0/s1
InChIKeyOUGMTHUVUAIMIA-SFHVURJKSA-N
XLogP4.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55519367
[3-(aminomethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 119483302
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
(3S)-1-(2-chlorobenzoyl)-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 94082311
3-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 17488727
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
(3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 25493135
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 41036902
2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890886
(2,6-dimethylmorpholin-4-yl)-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 42924708
[4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 111429757

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide (CID 27746161) is (3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide is COc1ccc2cc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)c(C)nc2c1.
What is the InChIKey of (3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is OUGMTHUVUAIMIA-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-21(13-17-10-11-20(30-2)14-22(17)25-16)24(29)27-12-6-7-18(15-27)23(28)26-19-8-4-3-5-9-19/h3-5,8-11,13-14,18H,6-7,12,15H2,1-2H3,(H,26,28)/t18-/m0/s1.
What are the key properties of (3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide?
(3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 27746161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).