N-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride

C18H36ClN3O2 — CID 119660883

IUPACN-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
SMILESCC(C)CC(C(=O)N(C)CCC(N)C(C)C)N1CCCCC1=O.Cl
InChIInChI=1S/C18H35N3O2.ClH/c1-13(2)12-16(21-10-7-6-8-17(21)22)18(23)20(5)11-9-15(19)14(3)4;/h13-16H,6-12,19H2,1-5H3;1H
InChIKeyHHSBIYMLLIXKJQ-UHFFFAOYSA-N
MW361.96 g/mol
LogP2.67
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride

N-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride (PubChem CID 119660883) has the molecular formula C18H36ClN3O2 and a molecular weight of 361.96 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
PubChem CID119660883
Molecular FormulaC18H36ClN3O2
Molecular Weight361.96 g/mol
Exact Mass361.25
IUPAC NameN-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
SMILESCC(C)CC(C(=O)N(C)CCC(N)C(C)C)N1CCCCC1=O.Cl
InChIInChI=1S/C18H35N3O2.ClH/c1-13(2)12-16(21-10-7-6-8-17(21)22)18(23)20(5)11-9-15(19)14(3)4;/h13-16H,6-12,19H2,1-5H3;1H
InChIKeyHHSBIYMLLIXKJQ-UHFFFAOYSA-N
XLogP2.67
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.96
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-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 N-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride (CID 119660883) is N-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride is CC(C)CC(C(=O)N(C)CCC(N)C(C)C)N1CCCCC1=O.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride?
The InChIKey is HHSBIYMLLIXKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2.ClH/c1-13(2)12-16(21-10-7-6-8-17(21)22)18(23)20(5)11-9-15(19)14(3)4;/h13-16H,6-12,19H2,1-5H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride has a molecular weight of 361.96 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119660883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).