[(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone

C27H24N2O2 — CID 42215892

IUPAC[(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone
SMILESCc1ccc2nccc(C(=O)N3CCC[C@H](C(=O)c4cccc5ccccc45)C3)c2c1
InChIInChI=1S/C27H24N2O2/c1-18-11-12-25-24(16-18)23(13-14-28-25)27(31)29-15-5-8-20(17-29)26(30)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-14,16,20H,5,8,15,17H2,1H3/t20-/m0/s1
InChIKeyNWUYDXIZBSFIMI-FQEVSTJZSA-N
MW408.50 g/mol
LogP5.43
Rot. Bonds3

About [(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone

[(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone (PubChem CID 42215892) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is [(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone
PubChem CID42215892
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name[(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone
SMILESCc1ccc2nccc(C(=O)N3CCC[C@H](C(=O)c4cccc5ccccc45)C3)c2c1
InChIInChI=1S/C27H24N2O2/c1-18-11-12-25-24(16-18)23(13-14-28-25)27(31)29-15-5-8-20(17-29)26(30)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-14,16,20H,5,8,15,17H2,1H3/t20-/m0/s1
InChIKeyNWUYDXIZBSFIMI-FQEVSTJZSA-N
XLogP5.43
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 45202126
[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 95728859
5,6-dimethyl-3-[(3S)-3-(naphthalene-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 25305199
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
3-methyl-1-[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]but-2-en-1-one
CID 25372306
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone
CID 24793253
N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 60589795
(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone
CID 45180688
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46510601

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone (CID 42215892) is [(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone is Cc1ccc2nccc(C(=O)N3CCC[C@H](C(=O)c4cccc5ccccc45)C3)c2c1.
What is the InChIKey of [(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is NWUYDXIZBSFIMI-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-18-11-12-25-24(16-18)23(13-14-28-25)27(31)29-15-5-8-20(17-29)26(30)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-14,16,20H,5,8,15,17H2,1H3/t20-/m0/s1.
What are the key properties of [(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone?
[(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 408.50 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 42215892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).