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

C13H26N2O — CID 115578834

IUPACN-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
SMILESCC(C)CC(C)N(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O/c1-11(2)10-12(3)14(4)13(16)15-8-6-5-7-9-15/h11-12H,5-10H2,1-4H3
InChIKeySITCXARXTIMQNY-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.96
Rot. Bonds3

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

N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide (PubChem CID 115578834) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
PubChem CID115578834
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
SMILESCC(C)CC(C)N(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O/c1-11(2)10-12(3)14(4)13(16)15-8-6-5-7-9-15/h11-12H,5-10H2,1-4H3
InChIKeySITCXARXTIMQNY-UHFFFAOYSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
CID 79152627
N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
CID 116657585
N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide
CID 115897719
N,N-bis(2-methylpropyl)piperidine-1-carboxamide
CID 115589131
(3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114085905
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea
CID 68710672
N,3-dimethyl-N-pentan-2-ylpiperidine-1-carboxamide
CID 116654337
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 153298886
(2S)-2-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 71425574
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide (CID 115578834) is N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide is CC(C)CC(C)N(C)C(=O)N1CCCCC1.
What is the InChIKey of N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide?
The InChIKey is SITCXARXTIMQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)10-12(3)14(4)13(16)15-8-6-5-7-9-15/h11-12H,5-10H2,1-4H3.
What are the key properties of N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide?
N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 115578834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).