N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide

C11H20N2O3 — CID 79039671

IUPACN-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide
SMILESCCC(C)(O)CNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C11H20N2O3/c1-3-11(2,16)7-13-10(15)8-4-5-9(14)12-6-8/h8,16H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyBSFTUXACSLRFPN-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.21
Rot. Bonds4

About N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide

N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide (PubChem CID 79039671) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide
PubChem CID79039671
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide
SMILESCCC(C)(O)CNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C11H20N2O3/c1-3-11(2,16)7-13-10(15)8-4-5-9(14)12-6-8/h8,16H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyBSFTUXACSLRFPN-UHFFFAOYSA-N
XLogP-0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide
CID 103899879
N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide
CID 104857784
N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 79039925
N-(2-hydroxy-2-methylbutyl)pyrrolidine-3-carboxamide
CID 65106728
5-[(2-hydroxy-2-methylbutyl)amino]piperidin-2-one
CID 114493142
2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193576
N-(2-cyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036834
2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193717
N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 114618525
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
6-oxopiperidine-3-carbohydrazide
CID 126970948
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide (CID 79039671) is N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide is CCC(C)(O)CNC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is BSFTUXACSLRFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-11(2,16)7-13-10(15)8-4-5-9(14)12-6-8/h8,16H,3-7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide?
N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 79039671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).