2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one

C18H27N3O — CID 120595139

IUPAC2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CCN(C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C18H27N3O/c1-18(19,15-7-3-2-4-8-15)17(22)21-13-11-20(12-14-21)16-9-5-6-10-16/h2-4,7-8,16H,5-6,9-14,19H2,1H3
InChIKeyBLMZJYUINIUNAK-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.95
Rot. Bonds3

About 2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one

2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one (PubChem CID 120595139) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
PubChem CID120595139
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CCN(C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C18H27N3O/c1-18(19,15-7-3-2-4-8-15)17(22)21-13-11-20(12-14-21)16-9-5-6-10-16/h2-4,7-8,16H,5-6,9-14,19H2,1H3
InChIKeyBLMZJYUINIUNAK-UHFFFAOYSA-N
XLogP1.95
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120588428
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-amino-2-phenylpropan-1-one
CID 120592446
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
2-amino-1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080376
2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589011
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589033
N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 120590583
2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 120596462
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120607945
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 62488068
2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
CID 102957634

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one (CID 120595139) is 2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one is CC(N)(C(=O)N1CCN(C2CCCC2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one?
The InChIKey is BLMZJYUINIUNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-18(19,15-7-3-2-4-8-15)17(22)21-13-11-20(12-14-21)16-9-5-6-10-16/h2-4,7-8,16H,5-6,9-14,19H2,1H3.
What are the key properties of 2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one?
2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one has a molecular weight of 301.43 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 120595139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).