3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one

C20H30N2O — CID 92756535

IUPAC3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one
SMILESC[C@@H](c1ccccc1)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C20H30N2O/c1-17(19-9-3-2-4-10-19)21-13-15-22(16-14-21)20(23)12-11-18-7-5-6-8-18/h2-4,9-10,17-18H,5-8,11-16H2,1H3/t17-/m0/s1
InChIKeyFBYIZDBULTYZQC-KRWDZBQOSA-N
MW314.47 g/mol
LogP3.86
Rot. Bonds5

About 3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one (PubChem CID 92756535) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one
PubChem CID92756535
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one
SMILESC[C@@H](c1ccccc1)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C20H30N2O/c1-17(19-9-3-2-4-10-19)21-13-15-22(16-14-21)20(23)12-11-18-7-5-6-8-18/h2-4,9-10,17-18H,5-8,11-16H2,1H3/t17-/m0/s1
InChIKeyFBYIZDBULTYZQC-KRWDZBQOSA-N
XLogP3.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one
CID 1328826
2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
CID 42714371
2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone
CID 2050848
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 91913389
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120588428
3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one
CID 157011519
2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]propanenitrile
CID 63337503
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-(4-benzyl-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one
CID 23768554
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
CID 55919453

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one (CID 92756535) is 3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one is C[C@@H](c1ccccc1)N1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one?
The InChIKey is FBYIZDBULTYZQC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N2O/c1-17(19-9-3-2-4-10-19)21-13-15-22(16-14-21)20(23)12-11-18-7-5-6-8-18/h2-4,9-10,17-18H,5-8,11-16H2,1H3/t17-/m0/s1.
What are the key properties of 3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one has a molecular weight of 314.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 92756535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).