3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide

C17H24N2O2 — CID 108942374

IUPAC3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCCC1)NCCCc1ccccc1
InChIInChI=1S/C17H24N2O2/c20-16(14-17(21)19-12-5-2-6-13-19)18-11-7-10-15-8-3-1-4-9-15/h1,3-4,8-9H,2,5-7,10-14H2,(H,18,20)
InChIKeyBDROIKGPJSNGKM-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.14
Rot. Bonds6

About 3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide

3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide (PubChem CID 108942374) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide
PubChem CID108942374
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCCC1)NCCCc1ccccc1
InChIInChI=1S/C17H24N2O2/c20-16(14-17(21)19-12-5-2-6-13-19)18-11-7-10-15-8-3-1-4-9-15/h1,3-4,8-9H,2,5-7,10-14H2,(H,18,20)
InChIKeyBDROIKGPJSNGKM-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide 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-morpholin-4-yl-3-oxo-N-(3-phenylpropyl)propanamide
CID 108943481
3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide
CID 108951179
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919
2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone
CID 60672286
3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108944340
2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone
CID 114333519
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942007
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052025
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986136
N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095159
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide?
The IUPAC name of 3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide (CID 108942374) is 3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for 3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for 3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide is O=C(CC(=O)N1CCCCC1)NCCCc1ccccc1.
What is the InChIKey of 3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide?
The InChIKey is BDROIKGPJSNGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-16(14-17(21)19-12-5-2-6-13-19)18-11-7-10-15-8-3-1-4-9-15/h1,3-4,8-9H,2,5-7,10-14H2,(H,18,20).
What are the key properties of 3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide?
3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 108942374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).