2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide

C13H24N2O2 — CID 114500457

IUPAC2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CCC(=O)C(C)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)7-14-13(17)11(4)15-6-5-12(16)10(3)8-15/h9-11H,5-8H2,1-4H3,(H,14,17)
InChIKeyXTCVSUGDRXQYGZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.06
Rot. Bonds4

About 2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide

2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide (PubChem CID 114500457) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide
PubChem CID114500457
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CCC(=O)C(C)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)7-14-13(17)11(4)15-6-5-12(16)10(3)8-15/h9-11H,5-8H2,1-4H3,(H,14,17)
InChIKeyXTCVSUGDRXQYGZ-UHFFFAOYSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid
CID 114500310
N,N-diethyl-2-(3-methyl-4-oxopiperidin-1-yl)propanamide
CID 114500324
2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride
CID 119924545
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide
CID 106672398
2-[3-methyl-4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 114499044
(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide
CID 100626167
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 60820142
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylpropyl)propanamide
CID 81460274
2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide
CID 78946325
2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid
CID 82041088
(2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 94411156
ethyl (3R)-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338323

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide (CID 114500457) is 2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N1CCC(=O)C(C)C1.
What is the InChIKey of 2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is XTCVSUGDRXQYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)7-14-13(17)11(4)15-6-5-12(16)10(3)8-15/h9-11H,5-8H2,1-4H3,(H,14,17).
What are the key properties of 2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide?
2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 240.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 114500457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).