N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide

C24H33N3O — CID 110624490

IUPACN-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide
SMILESCC(CN1CCN(Cc2ccccc2)CC1)NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C24H33N3O/c1-20(23-11-7-4-8-12-23)17-24(28)25-21(2)18-26-13-15-27(16-14-26)19-22-9-5-3-6-10-22/h3-12,20-21H,13-19H2,1-2H3,(H,25,28)
InChIKeyBHLDZDYQKJQXKZ-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.50
Rot. Bonds8

About N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide

N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide (PubChem CID 110624490) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide
PubChem CID110624490
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC NameN-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide
SMILESCC(CN1CCN(Cc2ccccc2)CC1)NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C24H33N3O/c1-20(23-11-7-4-8-12-23)17-24(28)25-21(2)18-26-13-15-27(16-14-26)19-22-9-5-3-6-10-22/h3-12,20-21H,13-19H2,1-2H3,(H,25,28)
InChIKeyBHLDZDYQKJQXKZ-UHFFFAOYSA-N
XLogP3.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide 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

N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide
CID 110624489
(3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 40591277
3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
CID 119953137
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide
CID 110284593
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110624494
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 110285473
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide
CID 110284554
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
CID 51948261
1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
CID 71304914

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide?
The IUPAC name of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide (CID 110624490) is N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide.
What is the SMILES notation for N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide?
The canonical SMILES for N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide is CC(CN1CCN(Cc2ccccc2)CC1)NC(=O)CC(C)c1ccccc1.
What is the InChIKey of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide?
The InChIKey is BHLDZDYQKJQXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-20(23-11-7-4-8-12-23)17-24(28)25-21(2)18-26-13-15-27(16-14-26)19-22-9-5-3-6-10-22/h3-12,20-21H,13-19H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide?
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide has a molecular weight of 379.55 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide is sourced from PubChem (CID 110624490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).