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

C20H20ClNO3 — CID 25473798

IUPAC[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H20ClNO3/c1-25-16-8-6-14(7-9-16)19(23)15-10-12-22(13-11-15)20(24)17-4-2-3-5-18(17)21/h2-9,15H,10-13H2,1H3
InChIKeyMCXFMMMKJMZJDF-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.08
Rot. Bonds4

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

[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 25473798) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID25473798
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H20ClNO3/c1-25-16-8-6-14(7-9-16)19(23)15-10-12-22(13-11-15)20(24)17-4-2-3-5-18(17)21/h2-9,15H,10-13H2,1H3
InChIKeyMCXFMMMKJMZJDF-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-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 25474499
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064
[1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473179
(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473746
[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475454
(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
CID 33365935
(4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone
CID 33183550
(Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one
CID 55909786
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
1-(2-chlorobenzoyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17223510

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 25473798) is [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is MCXFMMMKJMZJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-25-16-8-6-14(7-9-16)19(23)15-10-12-22(13-11-15)20(24)17-4-2-3-5-18(17)21/h2-9,15H,10-13H2,1H3.
What are the key properties of [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)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 [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 25473798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).