1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone

C22H25ClN2O — CID 110301107

IUPAC1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone
SMILESO=C(C(c1ccc(Cl)cc1)C1CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25ClN2O/c23-20-10-8-19(9-11-20)21(18-6-7-18)22(26)25-14-12-24(13-15-25)16-17-4-2-1-3-5-17/h1-5,8-11,18,21H,6-7,12-16H2
InChIKeySZOISPOVLIKJSS-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.18
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone

1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone (PubChem CID 110301107) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone
PubChem CID110301107
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone
SMILESO=C(C(c1ccc(Cl)cc1)C1CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25ClN2O/c23-20-10-8-19(9-11-20)21(18-6-7-18)22(26)25-14-12-24(13-15-25)16-17-4-2-1-3-5-17/h1-5,8-11,18,21H,6-7,12-16H2
InChIKeySZOISPOVLIKJSS-UHFFFAOYSA-N
XLogP4.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985
2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 122664615
4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde
CID 110408599
(2S)-1-(4-benzylpiperazin-1-yl)-2-(4-chloroanilino)propan-1-one
CID 7928563
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
CID 71304914
2-amino-1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 119838939
2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110301118
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425
1-(4-benzylpiperazin-1-yl)-2-ethylbutan-1-one
CID 1092017
2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110311064
N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide
CID 110301089

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone (CID 110301107) is 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone is O=C(C(c1ccc(Cl)cc1)C1CC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone?
The InChIKey is SZOISPOVLIKJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c23-20-10-8-19(9-11-20)21(18-6-7-18)22(26)25-14-12-24(13-15-25)16-17-4-2-1-3-5-17/h1-5,8-11,18,21H,6-7,12-16H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone?
1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone has a molecular weight of 368.91 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone is sourced from PubChem (CID 110301107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).