N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide

C12H23N3O2 — CID 106738824

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)NC(C)C(=O)N(C)C)CCN1
InChIInChI=1S/C12H23N3O2/c1-8-7-10(5-6-13-8)11(16)14-9(2)12(17)15(3)4/h8-10,13H,5-7H2,1-4H3,(H,14,16)
InChIKeyQYMHAUAELJMBBW-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.03
Rot. Bonds3

About N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide

N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide (PubChem CID 106738824) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide
PubChem CID106738824
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)NC(C)C(=O)N(C)C)CCN1
InChIInChI=1S/C12H23N3O2/c1-8-7-10(5-6-13-8)11(16)14-9(2)12(17)15(3)4/h8-10,13H,5-7H2,1-4H3,(H,14,16)
InChIKeyQYMHAUAELJMBBW-UHFFFAOYSA-N
XLogP-0.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 63005398
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
N-(1-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 106738786
N-[(1S)-1-cyclohexylethyl]-2-methylpiperidine-4-carboxamide
CID 106740421
N-(5-hydroxypentan-2-yl)-2-methylpiperidine-4-carboxamide
CID 106740348
(2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid
CID 106739654
2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide
CID 106740652
3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 106739595
(2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 120637437
5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid
CID 106740524
(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
CID 120635200
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide (CID 106738824) is N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)NC(C)C(=O)N(C)C)CCN1.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide?
The InChIKey is QYMHAUAELJMBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8-7-10(5-6-13-8)11(16)14-9(2)12(17)15(3)4/h8-10,13H,5-7H2,1-4H3,(H,14,16).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106738824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).