2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride

C18H28ClN3O2 — CID 119792252

IUPAC2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)C1CCCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-4-12-18(2,19)17(23)20(3)15-11-8-13-21(16(15)22)14-9-6-5-7-10-14;/h5-7,9-10,15H,4,8,11-13,19H2,1-3H3;1H
InChIKeyRFOBJZGLZLFACG-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.58
Rot. Bonds5

About 2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride

2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride (PubChem CID 119792252) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride
PubChem CID119792252
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)C1CCCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-4-12-18(2,19)17(23)20(3)15-11-8-13-21(16(15)22)14-9-6-5-7-10-14;/h5-7,9-10,15H,4,8,11-13,19H2,1-3H3;1H
InChIKeyRFOBJZGLZLFACG-UHFFFAOYSA-N
XLogP2.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride (CID 119792252) is 2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride is CCCC(C)(N)C(=O)N(C)C1CCCN(c2ccccc2)C1=O.Cl.
What is the InChIKey of 2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride?
The InChIKey is RFOBJZGLZLFACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-4-12-18(2,19)17(23)20(3)15-11-8-13-21(16(15)22)14-9-6-5-7-10-14;/h5-7,9-10,15H,4,8,11-13,19H2,1-3H3;1H.
What are the key properties of 2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride?
2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119792252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).