3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide

C13H26N2O — CID 115760637

IUPAC3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
SMILESCC(C)CC(C)NC(=O)N1CCCC(C)C1
InChIInChI=1S/C13H26N2O/c1-10(2)8-12(4)14-13(16)15-7-5-6-11(3)9-15/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyRWMNLPOKTPTPCZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.86
Rot. Bonds3

About 3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide

3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide (PubChem CID 115760637) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
PubChem CID115760637
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
SMILESCC(C)CC(C)NC(=O)N1CCCC(C)C1
InChIInChI=1S/C13H26N2O/c1-10(2)8-12(4)14-13(16)15-7-5-6-11(3)9-15/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyRWMNLPOKTPTPCZ-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 116657977
(3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide
CID 97108959
1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032946
N-[5-(diethylamino)pentan-2-yl]-3-methylpiperidine-1-carboxamide
CID 116653952
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583842
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
(2S)-1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61197461
2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61438947
(3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide
CID 97030100
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 79159951

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide (CID 115760637) is 3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide is CC(C)CC(C)NC(=O)N1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide?
The InChIKey is RWMNLPOKTPTPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)8-12(4)14-13(16)15-7-5-6-11(3)9-15/h10-12H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide?
3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 115760637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).