[1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone

C24H23NO2 — CID 45202126

IUPAC[1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
SMILESCc1cccc(C(=O)N2CCCC(C(=O)c3cccc4ccccc34)C2)c1
InChIInChI=1S/C24H23NO2/c1-17-7-4-10-19(15-17)24(27)25-14-6-11-20(16-25)23(26)22-13-5-9-18-8-2-3-12-21(18)22/h2-5,7-10,12-13,15,20H,6,11,14,16H2,1H3
InChIKeyDFFWYNZOMJQDNS-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.88
Rot. Bonds3

About [1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone

[1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone (PubChem CID 45202126) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is [1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
PubChem CID45202126
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name[1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
SMILESCc1cccc(C(=O)N2CCCC(C(=O)c3cccc4ccccc34)C2)c1
InChIInChI=1S/C24H23NO2/c1-17-7-4-10-19(15-17)24(27)25-14-6-11-20(16-25)23(26)22-13-5-9-18-8-2-3-12-21(18)22/h2-5,7-10,12-13,15,20H,6,11,14,16H2,1H3
InChIKeyDFFWYNZOMJQDNS-UHFFFAOYSA-N
XLogP4.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 42215892
[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 95728859
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
5,6-dimethyl-3-[(3S)-3-(naphthalene-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 25305199
3-methyl-1-[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]but-2-en-1-one
CID 25372306
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082533
N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803849

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone (CID 45202126) is [1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone is Cc1cccc(C(=O)N2CCCC(C(=O)c3cccc4ccccc34)C2)c1.
What is the InChIKey of [1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is DFFWYNZOMJQDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-17-7-4-10-19(15-17)24(27)25-14-6-11-20(16-25)23(26)22-13-5-9-18-8-2-3-12-21(18)22/h2-5,7-10,12-13,15,20H,6,11,14,16H2,1H3.
What are the key properties of [1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone?
[1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 357.45 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 45202126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).