N-(3-ethylpentan-3-yl)piperidine-2-carboxamide

C13H26N2O — CID 65039048

IUPACN-(3-ethylpentan-3-yl)piperidine-2-carboxamide
SMILESCCC(CC)(CC)NC(=O)C1CCCCN1
InChIInChI=1S/C13H26N2O/c1-4-13(5-2,6-3)15-12(16)11-9-7-8-10-14-11/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyZCYQIOJBQLRZBS-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.21
Rot. Bonds5

About N-(3-ethylpentan-3-yl)piperidine-2-carboxamide

N-(3-ethylpentan-3-yl)piperidine-2-carboxamide (PubChem CID 65039048) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)piperidine-2-carboxamide
PubChem CID65039048
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3-ethylpentan-3-yl)piperidine-2-carboxamide
SMILESCCC(CC)(CC)NC(=O)C1CCCCN1
InChIInChI=1S/C13H26N2O/c1-4-13(5-2,6-3)15-12(16)11-9-7-8-10-14-11/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyZCYQIOJBQLRZBS-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide
CID 107852747
2-(azepane-2-carbonylamino)-2-ethylbutanoic acid
CID 79804530
N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride
CID 119345447
2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
CID 61159683
N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide
CID 106188267
methyl 2-methyl-2-[[(2R)-piperidine-2-carbonyl]amino]propanoate
CID 93268446
(2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide
CID 106176083
4-(azepane-2-carbonylamino)-4-methylpentanoic acid
CID 64568351
N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908898
N-(2,2-dimethylbutyl)pyrrolidine-2-carboxamide
CID 103461668
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913581

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)piperidine-2-carboxamide?
The IUPAC name of N-(3-ethylpentan-3-yl)piperidine-2-carboxamide (CID 65039048) is N-(3-ethylpentan-3-yl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)piperidine-2-carboxamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)piperidine-2-carboxamide is CCC(CC)(CC)NC(=O)C1CCCCN1.
What is the InChIKey of N-(3-ethylpentan-3-yl)piperidine-2-carboxamide?
The InChIKey is ZCYQIOJBQLRZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-13(5-2,6-3)15-12(16)11-9-7-8-10-14-11/h11,14H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-(3-ethylpentan-3-yl)piperidine-2-carboxamide?
N-(3-ethylpentan-3-yl)piperidine-2-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)piperidine-2-carboxamide is sourced from PubChem (CID 65039048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).