1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone

C18H25ClN2O — CID 112764711

IUPAC1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O/c19-17-7-5-16(6-8-17)14-20-9-11-21(12-10-20)18(22)13-15-3-1-2-4-15/h5-8,15H,1-4,9-14H2
InChIKeyHDVGYFDUPHDOJM-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.56
Rot. Bonds4

About 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone

1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone (PubChem CID 112764711) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone
PubChem CID112764711
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O/c19-17-7-5-16(6-8-17)14-20-9-11-21(12-10-20)18(22)13-15-3-1-2-4-15/h5-8,15H,1-4,9-14H2
InChIKeyHDVGYFDUPHDOJM-UHFFFAOYSA-N
XLogP3.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-pyrrolidin-2-ylethanone
CID 119839004
3-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]benzoic acid
CID 122028917
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119839003
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146122570
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-2-cyclohexylethanone
CID 53148666
2-amino-1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethanone;dihydrochloride
CID 119838988
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone
CID 111112309
3-cyclopentyl-1-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 78857174
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78806252
(1-aminocyclohexyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 119831345
2-cyclopentyl-1-[4-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone
CID 25292145
1-[3-(4-chlorophenyl)azepan-1-yl]-2-cyclohexylethanone
CID 121146455

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone?
The IUPAC name of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone (CID 112764711) is 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone is O=C(CC1CCCC1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone?
The InChIKey is HDVGYFDUPHDOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c19-17-7-5-16(6-8-17)14-20-9-11-21(12-10-20)18(22)13-15-3-1-2-4-15/h5-8,15H,1-4,9-14H2.
What are the key properties of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone?
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone has a molecular weight of 320.86 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone is sourced from PubChem (CID 112764711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).