N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride

C12H24ClN3O2 — CID 119655986

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)C1CCC(=O)NC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-12(2,7-13)8-15(3)11(17)9-4-5-10(16)14-6-9;/h9H,4-8,13H2,1-3H3,(H,14,16);1H
InChIKeySOHYCUYGXLDGAL-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.38
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride (PubChem CID 119655986) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride
PubChem CID119655986
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)C1CCC(=O)NC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-12(2,7-13)8-15(3)11(17)9-4-5-10(16)14-6-9;/h9H,4-8,13H2,1-3H3,(H,14,16);1H
InChIKeySOHYCUYGXLDGAL-UHFFFAOYSA-N
XLogP0.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride (CID 119655986) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride is CN(CC(C)(C)CN)C(=O)C1CCC(=O)NC1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride?
The InChIKey is SOHYCUYGXLDGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-12(2,7-13)8-15(3)11(17)9-4-5-10(16)14-6-9;/h9H,4-8,13H2,1-3H3,(H,14,16);1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119655986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).