N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride

C16H32ClN3O2 — CID 119586427

IUPACN-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CCN(C(=O)C(C)C)CC1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-11(2)9-14(10-17)18-15(20)13-5-7-19(8-6-13)16(21)12(3)4;/h11-14H,5-10,17H2,1-4H3,(H,18,20);1H
InChIKeyLUGGTVRSMMCJNV-UHFFFAOYSA-N
MW333.90 g/mol
LogP1.79
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119586427) has the molecular formula C16H32ClN3O2 and a molecular weight of 333.90 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119586427
Molecular FormulaC16H32ClN3O2
Molecular Weight333.90 g/mol
Exact Mass333.22
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CCN(C(=O)C(C)C)CC1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-11(2)9-14(10-17)18-15(20)13-5-7-19(8-6-13)16(21)12(3)4;/h11-14H,5-10,17H2,1-4H3,(H,18,20);1H
InChIKeyLUGGTVRSMMCJNV-UHFFFAOYSA-N
XLogP1.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.90
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;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-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 61246188
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259
N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 63754544
N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113003552
N-(2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 43418235
(2S)-2-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 908678
N-(1-amino-4-methylpentan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588613
N-(1-hydroxy-4-methylpentan-2-yl)cyclopropanecarboxamide
CID 61246468
N-(1-amino-4-methylpentan-2-yl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119588066
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119585859

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride (CID 119586427) is N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)C1CCN(C(=O)C(C)C)CC1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is LUGGTVRSMMCJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.ClH/c1-11(2)9-14(10-17)18-15(20)13-5-7-19(8-6-13)16(21)12(3)4;/h11-14H,5-10,17H2,1-4H3,(H,18,20);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 333.90 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119586427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).