2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide

C23H31N3O — CID 11793239

IUPAC2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide
SMILESCC(C(=O)NCCCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-20(23(27)24-14-8-13-21-9-4-2-5-10-21)26-17-15-25(16-18-26)19-22-11-6-3-7-12-22/h2-7,9-12,20H,8,13-19H2,1H3,(H,24,27)
InChIKeyZJDZMSCJXWOPKI-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.94
Rot. Bonds8

About 2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide

2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide (PubChem CID 11793239) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide
PubChem CID11793239
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide
SMILESCC(C(=O)NCCCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-20(23(27)24-14-8-13-21-9-4-2-5-10-21)26-17-15-25(16-18-26)19-22-11-6-3-7-12-22/h2-7,9-12,20H,8,13-19H2,1H3,(H,24,27)
InChIKeyZJDZMSCJXWOPKI-UHFFFAOYSA-N
XLogP2.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 9275184
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
2-(4-benzylpiperazin-1-yl)propanehydrazide
CID 63569395
(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 8902343
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
(2S)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266113
(2R)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266116
2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide
CID 15309004
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)propanamide
CID 30741193
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide (CID 11793239) is 2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide is CC(C(=O)NCCCc1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide?
The InChIKey is ZJDZMSCJXWOPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-20(23(27)24-14-8-13-21-9-4-2-5-10-21)26-17-15-25(16-18-26)19-22-11-6-3-7-12-22/h2-7,9-12,20H,8,13-19H2,1H3,(H,24,27).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide?
2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide has a molecular weight of 365.52 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 11793239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).