N-hexan-3-yl-3-methylpiperidine-3-carboxamide

C13H26N2O — CID 63134940

IUPACN-hexan-3-yl-3-methylpiperidine-3-carboxamide
SMILESCCCC(CC)NC(=O)C1(C)CCCNC1
InChIInChI=1S/C13H26N2O/c1-4-7-11(5-2)15-12(16)13(3)8-6-9-14-10-13/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyXFNLIJAJPZLHOH-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds5

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

N-hexan-3-yl-3-methylpiperidine-3-carboxamide (PubChem CID 63134940) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-hexan-3-yl-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-hexan-3-yl-3-methylpiperidine-3-carboxamide
PubChem CID63134940
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-hexan-3-yl-3-methylpiperidine-3-carboxamide
SMILESCCCC(CC)NC(=O)C1(C)CCCNC1
InChIInChI=1S/C13H26N2O/c1-4-7-11(5-2)15-12(16)13(3)8-6-9-14-10-13/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyXFNLIJAJPZLHOH-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide
CID 110012454
N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide
CID 103950700
3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
CID 63142124
3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 115747548
N-(3-ethyl-2-hydroxypentyl)-3-methylpiperidine-3-carboxamide
CID 103822069
(2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 107825163
N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide
CID 106825992
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
N-[(2R)-1-hydroxybutan-2-yl]-1-methylcyclopentane-1-carboxamide
CID 103920108
N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide
CID 63134860
3-methylpiperidine-3-carbohydrazide
CID 63991806
N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-hexan-3-yl-3-methylpiperidine-3-carboxamide (CID 63134940) is N-hexan-3-yl-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-hexan-3-yl-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-hexan-3-yl-3-methylpiperidine-3-carboxamide is CCCC(CC)NC(=O)C1(C)CCCNC1.
What is the InChIKey of N-hexan-3-yl-3-methylpiperidine-3-carboxamide?
The InChIKey is XFNLIJAJPZLHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-7-11(5-2)15-12(16)13(3)8-6-9-14-10-13/h11,14H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-hexan-3-yl-3-methylpiperidine-3-carboxamide?
N-hexan-3-yl-3-methylpiperidine-3-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63134940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).