N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride

C13H26ClN3O2 — CID 119607916

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)C1CCN(C)C(=O)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-9(2)13(3,8-14)15-12(18)10-5-6-16(4)11(17)7-10;/h9-10H,5-8,14H2,1-4H3,(H,15,18);1H
InChIKeyQZDOUKMCJBAJHD-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.77
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride (PubChem CID 119607916) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride
PubChem CID119607916
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)C1CCN(C)C(=O)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-9(2)13(3,8-14)15-12(18)10-5-6-16(4)11(17)7-10;/h9-10H,5-8,14H2,1-4H3,(H,15,18);1H
InChIKeyQZDOUKMCJBAJHD-UHFFFAOYSA-N
XLogP0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide
CID 115310482
N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 119608309
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119608405
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119607229
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119608267
N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119606604
2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
CID 124570818
N-(1-amino-2,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127299
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 81487399
1-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119605429
(4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119608653
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 119608369

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride (CID 119607916) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride is CC(C)C(C)(CN)NC(=O)C1CCN(C)C(=O)C1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride?
The InChIKey is QZDOUKMCJBAJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-9(2)13(3,8-14)15-12(18)10-5-6-16(4)11(17)7-10;/h9-10H,5-8,14H2,1-4H3,(H,15,18);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119607916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).