[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone

C21H23NO3 — CID 110394605

IUPAC[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCC(C(=O)c3ccc(C)cc3)C2)c1
InChIInChI=1S/C21H23NO3/c1-15-8-10-16(11-9-15)20(23)18-6-4-12-22(14-18)21(24)17-5-3-7-19(13-17)25-2/h3,5,7-11,13,18H,4,6,12,14H2,1-2H3
InChIKeyYKYVBVHBVDTZBC-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.74
Rot. Bonds4

About [1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone

[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone (PubChem CID 110394605) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is [1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
PubChem CID110394605
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCC(C(=O)c3ccc(C)cc3)C2)c1
InChIInChI=1S/C21H23NO3/c1-15-8-10-16(11-9-15)20(23)18-6-4-12-22(14-18)21(24)17-5-3-7-19(13-17)25-2/h3,5,7-11,13,18H,4,6,12,14H2,1-2H3
InChIKeyYKYVBVHBVDTZBC-UHFFFAOYSA-N
XLogP3.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-[(3S)-1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-3-yl]methanone
CID 42151891
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone (CID 110394605) is [1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone is COc1cccc(C(=O)N2CCCC(C(=O)c3ccc(C)cc3)C2)c1.
What is the InChIKey of [1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone?
The InChIKey is YKYVBVHBVDTZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-15-8-10-16(11-9-15)20(23)18-6-4-12-22(14-18)21(24)17-5-3-7-19(13-17)25-2/h3,5,7-11,13,18H,4,6,12,14H2,1-2H3.
What are the key properties of [1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone?
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone has a molecular weight of 337.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 110394605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).