N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide

C13H26N2O — CID 153039047

IUPACN-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCCC(C(=O)N(C)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-10(2)14(5)13(16)12-7-6-8-15(9-12)11(3)4/h10-12H,6-9H2,1-5H3
InChIKeyVFHUMBMSLKFHSV-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.97
Rot. Bonds3

About N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide

N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide (PubChem CID 153039047) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide
PubChem CID153039047
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCCC(C(=O)N(C)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-10(2)14(5)13(16)12-7-6-8-15(9-12)11(3)4/h10-12H,6-9H2,1-5H3
InChIKeyVFHUMBMSLKFHSV-UHFFFAOYSA-N
XLogP1.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86860285
1-propan-2-ylazepane-3-carboxylic acid
CID 83618658
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 26405433
3-methyl-2-[methyl-(1-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 110837306
1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide
CID 174980443
(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 118103357
N-methyl-N,1-di(propan-2-yl)piperidin-3-amine
CID 159984005
(3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 97215987
cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone
CID 58803042
(3R)-1-propan-2-ylazepan-3-ol
CID 162493716
(3S,4S)-1-propan-2-ylazepane-3,4-diol
CID 166157364

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide (CID 153039047) is N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide is CC(C)N1CCCC(C(=O)N(C)C(C)C)C1.
What is the InChIKey of N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide?
The InChIKey is VFHUMBMSLKFHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)14(5)13(16)12-7-6-8-15(9-12)11(3)4/h10-12H,6-9H2,1-5H3.
What are the key properties of N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide?
N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 153039047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).