2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone

C25H32N2O — CID 122664615

IUPAC2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESO=C(C(c1ccccc1)C1CCCC1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H32N2O/c28-25(24(23-13-7-8-14-23)22-11-5-2-6-12-22)27-19-17-26(18-20-27)16-15-21-9-3-1-4-10-21/h1-6,9-12,23-24H,7-8,13-20H2
InChIKeyVNDPKHDJJKOXDP-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.35
Rot. Bonds6

About 2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone

2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone (PubChem CID 122664615) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
PubChem CID122664615
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESO=C(C(c1ccccc1)C1CCCC1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H32N2O/c28-25(24(23-13-7-8-14-23)22-11-5-2-6-12-22)27-19-17-26(18-20-27)16-15-21-9-3-1-4-10-21/h1-6,9-12,23-24H,7-8,13-20H2
InChIKeyVNDPKHDJJKOXDP-UHFFFAOYSA-N
XLogP4.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.35
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-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine
CID 138460344
1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone
CID 110301107
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 95543173
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
[4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone
CID 15158262
2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838013
5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 91777949
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
[(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 95601653

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone (CID 122664615) is 2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone is O=C(C(c1ccccc1)C1CCCC1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The InChIKey is VNDPKHDJJKOXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c28-25(24(23-13-7-8-14-23)22-11-5-2-6-12-22)27-19-17-26(18-20-27)16-15-21-9-3-1-4-10-21/h1-6,9-12,23-24H,7-8,13-20H2.
What are the key properties of 2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone has a molecular weight of 376.54 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 122664615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).