3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride

C18H30ClN3O — CID 119391045

IUPAC3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCC(C)C(C(=O)NCCCN1CCNCC1)c1ccccc1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-15(2)17(16-7-4-3-5-8-16)18(22)20-9-6-12-21-13-10-19-11-14-21;/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3,(H,20,22);1H
InChIKeyOBWMOHWIYXAJBR-UHFFFAOYSA-N
MW339.91 g/mol
LogP2.26
Rot. Bonds7

About 3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride

3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride (PubChem CID 119391045) has the molecular formula C18H30ClN3O and a molecular weight of 339.91 g/mol. Its IUPAC name is 3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
PubChem CID119391045
Molecular FormulaC18H30ClN3O
Molecular Weight339.91 g/mol
Exact Mass339.21
IUPAC Name3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCC(C)C(C(=O)NCCCN1CCNCC1)c1ccccc1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-15(2)17(16-7-4-3-5-8-16)18(22)20-9-6-12-21-13-10-19-11-14-21;/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3,(H,20,22);1H
InChIKeyOBWMOHWIYXAJBR-UHFFFAOYSA-N
XLogP2.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride 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-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119390719
2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392036
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide
CID 119394066
2,5-dimethyl-1-(1-phenylethyl)-N-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride
CID 119392391
3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392623
2-chloro-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide
CID 119392237
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
(2S,3R)-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]-3-methyl-2-phenylpentanamide
CID 97025367
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 61251743
1-benzyl-3-(3-piperazin-1-ylpropyl)urea
CID 107653368
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The IUPAC name of 3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride (CID 119391045) is 3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride.
What is the SMILES notation for 3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The canonical SMILES for 3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride is CC(C)C(C(=O)NCCCN1CCNCC1)c1ccccc1.Cl.
What is the InChIKey of 3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The InChIKey is OBWMOHWIYXAJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.ClH/c1-15(2)17(16-7-4-3-5-8-16)18(22)20-9-6-12-21-13-10-19-11-14-21;/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3,(H,20,22);1H.
What are the key properties of 3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride has a molecular weight of 339.91 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride is sourced from PubChem (CID 119391045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).