2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone

C18H25ClN2O — CID 136535913

IUPAC2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
SMILESCc1cccc(CC(=O)N2CCN(C3CCCC3)CC2)c1Cl
InChIInChI=1S/C18H25ClN2O/c1-14-5-4-6-15(18(14)19)13-17(22)21-11-9-20(10-12-21)16-7-2-3-8-16/h4-6,16H,2-3,7-13H2,1H3
InChIKeyIDZFVPLVDZJEGW-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.28
Rot. Bonds3

About 2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone

2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone (PubChem CID 136535913) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
PubChem CID136535913
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
SMILESCc1cccc(CC(=O)N2CCN(C3CCCC3)CC2)c1Cl
InChIInChI=1S/C18H25ClN2O/c1-14-5-4-6-15(18(14)19)13-17(22)21-11-9-20(10-12-21)16-7-2-3-8-16/h4-6,16H,2-3,7-13H2,1H3
InChIKeyIDZFVPLVDZJEGW-UHFFFAOYSA-N
XLogP3.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729
2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
CID 113074946
1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 113073065
1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 18456277
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone
CID 134020582
2-(2-chlorophenyl)-1-[4-(1-methylpiperidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 138382667
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 97014148
2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 134483239

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone (CID 136535913) is 2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone is Cc1cccc(CC(=O)N2CCN(C3CCCC3)CC2)c1Cl.
What is the InChIKey of 2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The InChIKey is IDZFVPLVDZJEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-14-5-4-6-15(18(14)19)13-17(22)21-11-9-20(10-12-21)16-7-2-3-8-16/h4-6,16H,2-3,7-13H2,1H3.
What are the key properties of 2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone has a molecular weight of 320.86 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone is sourced from PubChem (CID 136535913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).