N-hexan-2-yl-3-methylpiperidine-1-carboxamide

C13H26N2O — CID 116655502

IUPACN-hexan-2-yl-3-methylpiperidine-1-carboxamide
SMILESCCCCC(C)NC(=O)N1CCCC(C)C1
InChIInChI=1S/C13H26N2O/c1-4-5-8-12(3)14-13(16)15-9-6-7-11(2)10-15/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyIHYRFKWVEFFUGG-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.01
Rot. Bonds4

About N-hexan-2-yl-3-methylpiperidine-1-carboxamide

N-hexan-2-yl-3-methylpiperidine-1-carboxamide (PubChem CID 116655502) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-hexan-2-yl-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-hexan-2-yl-3-methylpiperidine-1-carboxamide
PubChem CID116655502
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-hexan-2-yl-3-methylpiperidine-1-carboxamide
SMILESCCCCC(C)NC(=O)N1CCCC(C)C1
InChIInChI=1S/C13H26N2O/c1-4-5-8-12(3)14-13(16)15-9-6-7-11(2)10-15/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyIHYRFKWVEFFUGG-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-3-methylpiperidine-1-carboxamide
CID 116653952
3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115760637
3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62199708
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
N-octan-2-ylpyrrolidine-1-carboxamide
CID 56808053
N-heptan-2-ylpiperidine-1-carboxamide
CID 115578841
(3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide
CID 97108959
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583842
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
(2S)-1-(hexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55050550
5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
CID 82848661

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-hexan-2-yl-3-methylpiperidine-1-carboxamide (CID 116655502) is N-hexan-2-yl-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-hexan-2-yl-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-hexan-2-yl-3-methylpiperidine-1-carboxamide is CCCCC(C)NC(=O)N1CCCC(C)C1.
What is the InChIKey of N-hexan-2-yl-3-methylpiperidine-1-carboxamide?
The InChIKey is IHYRFKWVEFFUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-8-12(3)14-13(16)15-9-6-7-11(2)10-15/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-hexan-2-yl-3-methylpiperidine-1-carboxamide?
N-hexan-2-yl-3-methylpiperidine-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 116655502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).