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

C20H20ClNO3 — CID 45179511

IUPAC[1-(4-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClNO3/c1-25-18-7-3-2-6-17(18)19(23)15-5-4-12-22(13-15)20(24)14-8-10-16(21)11-9-14/h2-3,6-11,15H,4-5,12-13H2,1H3
InChIKeyPELCOBHZDFKXPI-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.08
Rot. Bonds4

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

[1-(4-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone (PubChem CID 45179511) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is [1-(4-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
PubChem CID45179511
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name[1-(4-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClNO3/c1-25-18-7-3-2-6-17(18)19(23)15-5-4-12-22(13-15)20(24)14-8-10-16(21)11-9-14/h2-3,6-11,15H,4-5,12-13H2,1H3
InChIKeyPELCOBHZDFKXPI-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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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [1-(4-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone (CID 45179511) is [1-(4-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [1-(4-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [1-(4-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of [1-(4-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone?
The InChIKey is PELCOBHZDFKXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-25-18-7-3-2-6-17(18)19(23)15-5-4-12-22(13-15)20(24)14-8-10-16(21)11-9-14/h2-3,6-11,15H,4-5,12-13H2,1H3.
What are the key properties of [1-(4-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone?
[1-(4-chlorobenzoyl)piperidin-3-yl]-(2-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-(4-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 45179511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).