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

C20H20ClNO3 — CID 110289388

IUPAC(4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCC(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClNO3/c1-25-18-7-3-2-6-17(18)20(24)22-12-4-5-15(13-22)19(23)14-8-10-16(21)11-9-14/h2-3,6-11,15H,4-5,12-13H2,1H3
InChIKeyQHIFQNVTLJRQMX-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.08
Rot. Bonds4

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

(4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone (PubChem CID 110289388) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone
PubChem CID110289388
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name(4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCC(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClNO3/c1-25-18-7-3-2-6-17(18)20(24)22-12-4-5-15(13-22)19(23)14-8-10-16(21)11-9-14/h2-3,6-11,15H,4-5,12-13H2,1H3
InChIKeyQHIFQNVTLJRQMX-UHFFFAOYSA-N
XLogP4.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone
CID 110289382
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
1-[2-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]ethanone
CID 42527385
(4-chlorophenyl)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42361324
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
[1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 24791060
(2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 24817693
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 70720977

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone (CID 110289388) is (4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone is COc1ccccc1C(=O)N1CCCC(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone?
The InChIKey is QHIFQNVTLJRQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-25-18-7-3-2-6-17(18)20(24)22-12-4-5-15(13-22)19(23)14-8-10-16(21)11-9-14/h2-3,6-11,15H,4-5,12-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone?
(4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone has a molecular weight of 357.84 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 110289388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).