3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide

C23H31N3O — CID 119392623

IUPAC3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide
SMILESO=C(CC(Cc1ccccc1)c1ccccc1)NCCCN1CCNCC1
InChIInChI=1S/C23H31N3O/c27-23(25-12-7-15-26-16-13-24-14-17-26)19-22(21-10-5-2-6-11-21)18-20-8-3-1-4-9-20/h1-6,8-11,22,24H,7,12-19H2,(H,25,27)
InChIKeyKUZCFXZMPCMLBT-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.81
Rot. Bonds9

About 3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide

3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide (PubChem CID 119392623) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide
PubChem CID119392623
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide
SMILESO=C(CC(Cc1ccccc1)c1ccccc1)NCCCN1CCNCC1
InChIInChI=1S/C23H31N3O/c27-23(25-12-7-15-26-16-13-24-14-17-26)19-22(21-10-5-2-6-11-21)18-20-8-3-1-4-9-20/h1-6,8-11,22,24H,7,12-19H2,(H,25,27)
InChIKeyKUZCFXZMPCMLBT-UHFFFAOYSA-N
XLogP2.81
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide
CID 119394066
1-benzyl-3-(3-piperazin-1-ylpropyl)urea
CID 107653368
2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394011
3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391045
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392699
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394229
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392036
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392698
3,4-diphenyl-N-pyrrolidin-3-ylbutanamide
CID 119451866
(3R)-3-(2-chlorophenyl)-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide
CID 97283785

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide?
The IUPAC name of 3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide (CID 119392623) is 3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide.
What is the SMILES notation for 3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide?
The canonical SMILES for 3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide is O=C(CC(Cc1ccccc1)c1ccccc1)NCCCN1CCNCC1.
What is the InChIKey of 3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide?
The InChIKey is KUZCFXZMPCMLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c27-23(25-12-7-15-26-16-13-24-14-17-26)19-22(21-10-5-2-6-11-21)18-20-8-3-1-4-9-20/h1-6,8-11,22,24H,7,12-19H2,(H,25,27).
What are the key properties of 3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide?
3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide has a molecular weight of 365.52 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide is sourced from PubChem (CID 119392623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).