1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one

C14H16ClNO2 — CID 114508192

IUPAC1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one
SMILESCCC1CN(C(=O)c2cccc(Cl)c2)CCC1=O
InChIInChI=1S/C14H16ClNO2/c1-2-10-9-16(7-6-13(10)17)14(18)11-4-3-5-12(15)8-11/h3-5,8,10H,2,6-7,9H2,1H3
InChIKeySVUFREHNACTNTD-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.78
Rot. Bonds2

About 1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one

1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one (PubChem CID 114508192) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one
PubChem CID114508192
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one
SMILESCCC1CN(C(=O)c2cccc(Cl)c2)CCC1=O
InChIInChI=1S/C14H16ClNO2/c1-2-10-9-16(7-6-13(10)17)14(18)11-4-3-5-12(15)8-11/h3-5,8,10H,2,6-7,9H2,1H3
InChIKeySVUFREHNACTNTD-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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Related Compounds

1-benzoyl-3-ethylpiperidin-4-one
CID 114508143
1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one
CID 107987877
6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one
CID 114040137
N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508481
(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone
CID 115269961
(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746304
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 106839026
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one?
The IUPAC name of 1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one (CID 114508192) is 1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one.
What is the SMILES notation for 1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one?
The canonical SMILES for 1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one is CCC1CN(C(=O)c2cccc(Cl)c2)CCC1=O.
What is the InChIKey of 1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one?
The InChIKey is SVUFREHNACTNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-2-10-9-16(7-6-13(10)17)14(18)11-4-3-5-12(15)8-11/h3-5,8,10H,2,6-7,9H2,1H3.
What are the key properties of 1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one?
1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one 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-(3-chlorobenzoyl)-3-ethylpiperidin-4-one is sourced from PubChem (CID 114508192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).