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

C20H20ClNO3 — CID 24794151

IUPAC[1-(2-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C20H20ClNO3/c1-25-18-11-5-3-9-16(18)19(23)14-7-6-12-22(13-14)20(24)15-8-2-4-10-17(15)21/h2-5,8-11,14H,6-7,12-13H2,1H3
InChIKeyASJIRLXEKIPQTP-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.08
Rot. Bonds4

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

[1-(2-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone (PubChem CID 24794151) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is [1-(2-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
PubChem CID24794151
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name[1-(2-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C20H20ClNO3/c1-25-18-11-5-3-9-16(18)19(23)14-7-6-12-22(13-14)20(24)15-8-2-4-10-17(15)21/h2-5,8-11,14H,6-7,12-13H2,1H3
InChIKeyASJIRLXEKIPQTP-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-(2-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [1-(2-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone (CID 24794151) is [1-(2-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [1-(2-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [1-(2-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)C1CCCN(C(=O)c2ccccc2Cl)C1.
What is the InChIKey of [1-(2-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone?
The InChIKey is ASJIRLXEKIPQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-25-18-11-5-3-9-16(18)19(23)14-7-6-12-22(13-14)20(24)15-8-2-4-10-17(15)21/h2-5,8-11,14H,6-7,12-13H2,1H3.
What are the key properties of [1-(2-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone?
[1-(2-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-(2-chlorobenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 24794151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).