3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one

C16H24N2O — CID 112702989

IUPAC3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
SMILESCCCC1CCN(C(=O)CC(N)c2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-2-6-13-9-10-18(12-13)16(19)11-15(17)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12,17H2,1H3
InChIKeyYLWAKAPMHBNTBK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.73
Rot. Bonds5

About 3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one

3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one (PubChem CID 112702989) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
PubChem CID112702989
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
SMILESCCCC1CCN(C(=O)CC(N)c2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-2-6-13-9-10-18(12-13)16(19)11-15(17)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12,17H2,1H3
InChIKeyYLWAKAPMHBNTBK-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753
3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119949251
3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 119953477
(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
CID 81120276
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-3-amino-3-phenylpropan-1-one;hydrochloride
CID 119951607
3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119949267
3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
CID 119952419
3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 119953755
4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 107217065
1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 99850189
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
CID 119949242

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one (CID 112702989) is 3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one is CCCC1CCN(C(=O)CC(N)c2ccccc2)C1.
What is the InChIKey of 3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one?
The InChIKey is YLWAKAPMHBNTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-6-13-9-10-18(12-13)16(19)11-15(17)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12,17H2,1H3.
What are the key properties of 3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one?
3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 112702989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).