1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one

C21H32N2O — CID 55774449

IUPAC1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1ccc(CCC(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C21H32N2O/c1-17(2)19-10-7-18(8-11-19)9-12-21(24)23-15-13-22(14-16-23)20-5-3-4-6-20/h7-8,10-11,17,20H,3-6,9,12-16H2,1-2H3
InChIKeyUJOCXMWKENXKTN-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.83
Rot. Bonds5

About 1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one

1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one (PubChem CID 55774449) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one
PubChem CID55774449
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1ccc(CCC(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C21H32N2O/c1-17(2)19-10-7-18(8-11-19)9-12-21(24)23-15-13-22(14-16-23)20-5-3-4-6-20/h7-8,10-11,17,20H,3-6,9,12-16H2,1-2H3
InChIKeyUJOCXMWKENXKTN-UHFFFAOYSA-N
XLogP3.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 55774407
1-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 95283468
3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one
CID 61116139
1-[4-(2-adamantyl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 19590985
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 34423625
5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one
CID 55761211
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 119469653
N-phenyl-4-[3-(4-propan-2-ylphenyl)propanoyl]piperazine-1-carboxamide
CID 110366046
1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 141148896
tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 55868243
3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 21025482

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one (CID 55774449) is 1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one is CC(C)c1ccc(CCC(=O)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one?
The InChIKey is UJOCXMWKENXKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-17(2)19-10-7-18(8-11-19)9-12-21(24)23-15-13-22(14-16-23)20-5-3-4-6-20/h7-8,10-11,17,20H,3-6,9,12-16H2,1-2H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one?
1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one has a molecular weight of 328.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 55774449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).