3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride

C15H25Cl2N3O — CID 119863025

IUPAC3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
SMILESCC(N)CC(=O)NC1CCN(c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-12(16)11-15(19)17-13-7-9-18(10-8-13)14-5-3-2-4-6-14;;/h2-6,12-13H,7-11,16H2,1H3,(H,17,19);2*1H
InChIKeyNXMVIHWHDJREGA-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.35
Rot. Bonds4

About 3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride

3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride (PubChem CID 119863025) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is 3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
PubChem CID119863025
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC Name3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
SMILESCC(N)CC(=O)NC1CCN(c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-12(16)11-15(19)17-13-7-9-18(10-8-13)14-5-3-2-4-6-14;;/h2-6,12-13H,7-11,16H2,1H3,(H,17,19);2*1H
InChIKeyNXMVIHWHDJREGA-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride 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-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119953381
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781200
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60842653
3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
CID 86785833
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024
2-(2-fluorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735879
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347
2-amino-2-(4-methylphenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120669904
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride (CID 119863025) is 3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride is CC(N)CC(=O)NC1CCN(c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride?
The InChIKey is NXMVIHWHDJREGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c1-12(16)11-15(19)17-13-7-9-18(10-8-13)14-5-3-2-4-6-14;;/h2-6,12-13H,7-11,16H2,1H3,(H,17,19);2*1H.
What are the key properties of 3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride?
3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride is sourced from PubChem (CID 119863025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).