4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide

C13H26N2O — CID 114428012

IUPAC4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC(C)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-5-11-6-7-14-12(8-11)13(16)15-10(4)9(2)3/h9-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyOBQUHYYJEYVNHZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds4

About 4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide

4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide (PubChem CID 114428012) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
PubChem CID114428012
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC(C)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-5-11-6-7-14-12(8-11)13(16)15-10(4)9(2)3/h9-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyOBQUHYYJEYVNHZ-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114429550
(2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride
CID 130636662
4-ethyl-N-(1-methoxypropan-2-yl)piperidine-2-carboxamide
CID 114427831
(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid
CID 104921968
4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 114428056
4-ethyl-N-propan-2-ylsulfonylpiperidine-2-carboxamide
CID 103307962
4-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-2-carboxamide
CID 114428064
4-ethyl-N-(1-phenylethyl)piperidine-2-carboxamide
CID 114427805
(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 104921912
4-ethyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 114428024
4-ethyl-N-(4-hydroxybutyl)piperidine-2-carboxamide
CID 106841954
N-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide
CID 163850863

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide (CID 114428012) is 4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide is CCC1CCNC(C(=O)NC(C)C(C)C)C1.
What is the InChIKey of 4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide?
The InChIKey is OBQUHYYJEYVNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-11-6-7-14-12(8-11)13(16)15-10(4)9(2)3/h9-12,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide?
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 114428012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).