2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one

C21H31N3O2 — CID 120588428

IUPAC2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CCN(C(=O)CCC2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C21H31N3O2/c1-21(22,18-9-3-2-4-10-18)20(26)24-15-13-23(14-16-24)19(25)12-11-17-7-5-6-8-17/h2-4,9-10,17H,5-8,11-16,22H2,1H3
InChIKeyQGJFHGZPFRKFMG-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.50
Rot. Bonds5

About 2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one

2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one (PubChem CID 120588428) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one
PubChem CID120588428
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CCN(C(=O)CCC2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C21H31N3O2/c1-21(22,18-9-3-2-4-10-18)20(26)24-15-13-23(14-16-24)19(25)12-11-17-7-5-6-8-17/h2-4,9-10,17H,5-8,11-16,22H2,1H3
InChIKeyQGJFHGZPFRKFMG-UHFFFAOYSA-N
XLogP2.50
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
CID 120595139
4-amino-1-cyclohexyl-4-phenylpentan-3-one
CID 114193549
2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 120596462
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120593588
2-amino-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride
CID 120594918
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-amino-2-phenylpropan-1-one
CID 120592446
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749
3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one
CID 92756535
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 120595489
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119743528

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one (CID 120588428) is 2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one is CC(N)(C(=O)N1CCN(C(=O)CCC2CCCC2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one?
The InChIKey is QGJFHGZPFRKFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-21(22,18-9-3-2-4-10-18)20(26)24-15-13-23(14-16-24)19(25)12-11-17-7-5-6-8-17/h2-4,9-10,17H,5-8,11-16,22H2,1H3.
What are the key properties of 2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one?
2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one has a molecular weight of 357.50 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 120588428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).