4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one

C16H20ClN3O2 — CID 120739774

IUPAC4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C1CC(C(=O)N2CCNCC2c2ccccc2Cl)CCN1
InChIInChI=1S/C16H20ClN3O2/c17-13-4-2-1-3-12(13)14-10-18-7-8-20(14)16(22)11-5-6-19-15(21)9-11/h1-4,11,14,18H,5-10H2,(H,19,21)
InChIKeyLDGNASPSQFKUTD-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.34
Rot. Bonds2

About 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one

4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 120739774) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID120739774
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C1CC(C(=O)N2CCNCC2c2ccccc2Cl)CCN1
InChIInChI=1S/C16H20ClN3O2/c17-13-4-2-1-3-12(13)14-10-18-7-8-20(14)16(22)11-5-6-19-15(21)9-11/h1-4,11,14,18H,5-10H2,(H,19,21)
InChIKeyLDGNASPSQFKUTD-UHFFFAOYSA-N
XLogP1.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
[2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
CID 120738143
(2S,5R)-5-[2-(2-chlorophenyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 136589492
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
CID 120739391
[2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120739715
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120741572
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120738127
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one (CID 120739774) is 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one is O=C1CC(C(=O)N2CCNCC2c2ccccc2Cl)CCN1.
What is the InChIKey of 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is LDGNASPSQFKUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c17-13-4-2-1-3-12(13)14-10-18-7-8-20(14)16(22)11-5-6-19-15(21)9-11/h1-4,11,14,18H,5-10H2,(H,19,21).
What are the key properties of 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one?
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 321.81 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 120739774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).