[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone

C16H21ClN2O — CID 120739912

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O/c17-14-8-4-3-7-13(14)15-11-18-9-10-19(15)16(20)12-5-1-2-6-12/h3-4,7-8,12,15,18H,1-2,5-6,9-11H2
InChIKeyCSRQVCGMMUWTIZ-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.00
Rot. Bonds2

About [2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone

[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone (PubChem CID 120739912) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
PubChem CID120739912
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O/c17-14-8-4-3-7-13(14)15-11-18-9-10-19(15)16(20)12-5-1-2-6-12/h3-4,7-8,12,15,18H,1-2,5-6,9-11H2
InChIKeyCSRQVCGMMUWTIZ-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
CID 120739391
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120739774
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120739124
(2S,5R)-5-[2-(2-chlorophenyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 136589492
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
[2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120739715
[2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
CID 120738143
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone (CID 120739912) is [2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is CSRQVCGMMUWTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-14-8-4-3-7-13(14)15-11-18-9-10-19(15)16(20)12-5-1-2-6-12/h3-4,7-8,12,15,18H,1-2,5-6,9-11H2.
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone?
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 292.81 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 120739912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).