2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride

C16H32Cl2N4O — CID 86585201

IUPAC2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride
SMILESCCCN1CCC(C#N)(NC(=O)C(N)CC(C)(C)C)CC1.Cl.Cl
InChIInChI=1S/C16H30N4O.2ClH/c1-5-8-20-9-6-16(12-17,7-10-20)19-14(21)13(18)11-15(2,3)4;;/h13H,5-11,18H2,1-4H3,(H,19,21);2*1H
InChIKeyGRNSBKYVCZORDP-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.48
Rot. Bonds5

About 2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride

2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride (PubChem CID 86585201) has the molecular formula C16H32Cl2N4O and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride
PubChem CID86585201
Molecular FormulaC16H32Cl2N4O
Molecular Weight367.37 g/mol
Exact Mass366.20
IUPAC Name2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride
SMILESCCCN1CCC(C#N)(NC(=O)C(N)CC(C)(C)C)CC1.Cl.Cl
InChIInChI=1S/C16H30N4O.2ClH/c1-5-8-20-9-6-16(12-17,7-10-20)19-14(21)13(18)11-15(2,3)4;;/h13H,5-11,18H2,1-4H3,(H,19,21);2*1H
InChIKeyGRNSBKYVCZORDP-UHFFFAOYSA-N
XLogP2.48
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride 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-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride (CID 86585201) is 2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride is CCCN1CCC(C#N)(NC(=O)C(N)CC(C)(C)C)CC1.Cl.Cl.
What is the InChIKey of 2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride?
The InChIKey is GRNSBKYVCZORDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O.2ClH/c1-5-8-20-9-6-16(12-17,7-10-20)19-14(21)13(18)11-15(2,3)4;;/h13H,5-11,18H2,1-4H3,(H,19,21);2*1H.
What are the key properties of 2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride?
2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride has a molecular weight of 367.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride is sourced from PubChem (CID 86585201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).