N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide

C13H24N2O2 — CID 78952778

IUPACN-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCCC(CC)C(C)NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H24N2O2/c1-4-10(5-2)9(3)15-13(17)11-6-7-12(16)14-8-11/h9-11H,4-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyOIRKUGZAJKYXSK-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.45
Rot. Bonds5

About N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide

N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 78952778) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID78952778
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCCC(CC)C(C)NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H24N2O2/c1-4-10(5-2)9(3)15-13(17)11-6-7-12(16)14-8-11/h9-11H,4-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyOIRKUGZAJKYXSK-UHFFFAOYSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid
CID 129380712
N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 115900350
N-(1-ethoxy-3-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 103274805
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide
CID 113408101
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981655
N-(3-ethylpentan-2-yl)piperidine-4-carboxamide
CID 63842489
2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid
CID 83192791
N-(2-ethoxypropyl)-6-oxopiperidine-3-carboxamide
CID 115649057
6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 71652098
2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193576
(2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 107822931

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide (CID 78952778) is N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide is CCC(CC)C(C)NC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is OIRKUGZAJKYXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-10(5-2)9(3)15-13(17)11-6-7-12(16)14-8-11/h9-11H,4-8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide?
N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 78952778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).