[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone

C21H23NO4 — CID 110394690

IUPAC[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCN(C(=O)c3ccccc3OC)C2)cc1
InChIInChI=1S/C21H23NO4/c1-25-17-11-9-15(10-12-17)20(23)16-6-5-13-22(14-16)21(24)18-7-3-4-8-19(18)26-2/h3-4,7-12,16H,5-6,13-14H2,1-2H3
InChIKeyOCSHTMMFWIRLFR-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.44
Rot. Bonds5

About [1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone

[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 110394690) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
PubChem CID110394690
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCN(C(=O)c3ccccc3OC)C2)cc1
InChIInChI=1S/C21H23NO4/c1-25-17-11-9-15(10-12-17)20(23)16-6-5-13-22(14-16)21(24)18-7-3-4-8-19(18)26-2/h3-4,7-12,16H,5-6,13-14H2,1-2H3
InChIKeyOCSHTMMFWIRLFR-UHFFFAOYSA-N
XLogP3.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone
CID 110289388
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394724
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
(4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 95791894
3-(4-methoxybenzoyl)-N-phenylpiperidine-1-carboxamide
CID 110394709
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 70720977
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088
1-[2-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]ethanone
CID 42527385
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone (CID 110394690) is [1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCCN(C(=O)c3ccccc3OC)C2)cc1.
What is the InChIKey of [1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is OCSHTMMFWIRLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-25-17-11-9-15(10-12-17)20(23)16-6-5-13-22(14-16)21(24)18-7-3-4-8-19(18)26-2/h3-4,7-12,16H,5-6,13-14H2,1-2H3.
What are the key properties of [1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone?
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 353.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 110394690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).