1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone

C22H26N2O — CID 110411985

IUPAC1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
SMILESO=C(C(c1ccccc1)C1CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O/c25-22(21(20-11-12-20)19-9-5-2-6-10-19)24-15-13-23(14-16-24)17-18-7-3-1-4-8-18/h1-10,20-21H,11-17H2
InChIKeyJOHVGOCYEOYMSH-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.52
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone

1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone (PubChem CID 110411985) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
PubChem CID110411985
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
SMILESO=C(C(c1ccccc1)C1CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O/c25-22(21(20-11-12-20)19-9-5-2-6-10-19)24-15-13-23(14-16-24)17-18-7-3-1-4-8-18/h1-10,20-21H,11-17H2
InChIKeyJOHVGOCYEOYMSH-UHFFFAOYSA-N
XLogP3.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone
CID 110301107
2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 122664615
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
CID 71304914
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 4833570
1-(4-benzylpiperazin-1-yl)-2-ethylbutan-1-one
CID 1092017
(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987856
3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one
CID 23436784
3-amino-4-(4-benzylpiperazin-1-yl)-4-oxobutanoic acid
CID 64896822
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
3-amino-1-(4-benzylpiperazin-1-yl)-2-methylbutan-1-one;dihydrochloride
CID 120502407

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone (CID 110411985) is 1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone is O=C(C(c1ccccc1)C1CC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone?
The InChIKey is JOHVGOCYEOYMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22(21(20-11-12-20)19-9-5-2-6-10-19)24-15-13-23(14-16-24)17-18-7-3-1-4-8-18/h1-10,20-21H,11-17H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone?
1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone has a molecular weight of 334.46 g/mol, XLogP of 3.52, 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-cyclopropyl-2-phenylethanone is sourced from PubChem (CID 110411985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).