2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone

C15H22N2O — CID 60672286

IUPAC2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCCCc1ccccc1)N1CCCC1
InChIInChI=1S/C15H22N2O/c18-15(17-11-4-5-12-17)13-16-10-6-9-14-7-2-1-3-8-14/h1-3,7-8,16H,4-6,9-13H2
InChIKeyZMZBXWIXUFFSIE-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.83
Rot. Bonds6

About 2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone

2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone (PubChem CID 60672286) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone
PubChem CID60672286
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCCCc1ccccc1)N1CCCC1
InChIInChI=1S/C15H22N2O/c18-15(17-11-4-5-12-17)13-16-10-6-9-14-7-2-1-3-8-14/h1-3,7-8,16H,4-6,9-13H2
InChIKeyZMZBXWIXUFFSIE-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone 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

2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone
CID 114333519
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919
2-(3-phenylpropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004865
2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone
CID 28577546
3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide
CID 108942374
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60672436
12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one
CID 146255651
1-(azepan-1-yl)-2-[2-(3-chlorophenyl)ethylamino]ethanone
CID 109006698
1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 119764304
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-phenylethylamino)ethanone
CID 108999897
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone (CID 60672286) is 2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone is O=C(CNCCCc1ccccc1)N1CCCC1.
What is the InChIKey of 2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone?
The InChIKey is ZMZBXWIXUFFSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-15(17-11-4-5-12-17)13-16-10-6-9-14-7-2-1-3-8-14/h1-3,7-8,16H,4-6,9-13H2.
What are the key properties of 2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone?
2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone has a molecular weight of 246.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 60672286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).