2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one

C15H19ClN2O — CID 62053498

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one
SMILESO=C1CCCC1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H19ClN2O/c16-12-3-1-4-13(11-12)17-7-9-18(10-8-17)14-5-2-6-15(14)19/h1,3-4,11,14H,2,5-10H2
InChIKeyJPLOCFVGKQKMCF-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.58
Rot. Bonds2

About 2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one

2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one (PubChem CID 62053498) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one
PubChem CID62053498
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one
SMILESO=C1CCCC1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H19ClN2O/c16-12-3-1-4-13(11-12)17-7-9-18(10-8-17)14-5-2-6-15(14)19/h1,3-4,11,14H,2,5-10H2
InChIKeyJPLOCFVGKQKMCF-UHFFFAOYSA-N
XLogP2.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 102731807
1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
CID 784467
(3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one
CID 94179417
(3S,5S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one
CID 94179418
1-(3-chlorophenyl)azonane
CID 145391535
(3S)-1-(4-bromophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1041111
1-(3-chlorophenyl)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2949652
(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1288254
(3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2689096
(3R)-1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1087586
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 73258464

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one (CID 62053498) is 2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one is O=C1CCCC1N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one?
The InChIKey is JPLOCFVGKQKMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-12-3-1-4-13(11-12)17-7-9-18(10-8-17)14-5-2-6-15(14)19/h1,3-4,11,14H,2,5-10H2.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one?
2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one has a molecular weight of 278.78 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one is sourced from PubChem (CID 62053498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).