N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride

C12H24ClN3O2 — CID 119272093

IUPACN-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)NC(=O)CN(C)C(=O)C1CCNCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-9(2)14-11(16)8-15(3)12(17)10-4-6-13-7-5-10;/h9-10,13H,4-8H2,1-3H3,(H,14,16);1H
InChIKeyQHOFEKUTYFFSJU-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.39
Rot. Bonds4

About N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride

N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119272093) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119272093
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC NameN-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)NC(=O)CN(C)C(=O)C1CCNCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-9(2)14-11(16)8-15(3)12(17)10-4-6-13-7-5-10;/h9-10,13H,4-8H2,1-3H3,(H,14,16);1H
InChIKeyQHOFEKUTYFFSJU-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 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 ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 43579064
3-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 66010622
N-[2-(dimethylamino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 43375315
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide
CID 64562456
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119291380
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide
CID 55005313
N-[2-(diethylamino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 54872869
N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 47002845
methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate
CID 54871718
2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide
CID 103983310
N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119687382
2-(piperidin-4-ylamino)-N-propan-2-ylacetamide
CID 61016594

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride (CID 119272093) is N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride is CC(C)NC(=O)CN(C)C(=O)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is QHOFEKUTYFFSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-9(2)14-11(16)8-15(3)12(17)10-4-6-13-7-5-10;/h9-10,13H,4-8H2,1-3H3,(H,14,16);1H.
What are the key properties of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride?
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119272093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).