1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone

C14H16ClNO2 — CID 544682

IUPAC1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H16ClNO2/c1-10(17)16-8-6-12(7-9-16)14(18)11-2-4-13(15)5-3-11/h2-5,12H,6-9H2,1H3
InChIKeyBDXCKRRHAYAQCI-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.78
Rot. Bonds2

About 1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone

1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone (PubChem CID 544682) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone
PubChem CID544682
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H16ClNO2/c1-10(17)16-8-6-12(7-9-16)14(18)11-2-4-13(15)5-3-11/h2-5,12H,6-9H2,1H3
InChIKeyBDXCKRRHAYAQCI-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone (CID 544682) is 1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone?
The InChIKey is BDXCKRRHAYAQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10(17)16-8-6-12(7-9-16)14(18)11-2-4-13(15)5-3-11/h2-5,12H,6-9H2,1H3.
What are the key properties of 1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone?
1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone has a molecular weight of 265.74 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorobenzoyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 544682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).