N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide

C13H22N2O3 — CID 113226309

IUPACN-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide
SMILESCN(CC1CCCCO1)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H22N2O3/c1-15(9-11-4-2-3-7-18-11)13(17)10-5-6-12(16)14-8-10/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyIHTAOCJMIGJKQA-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds3

About N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide

N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 113226309) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide
PubChem CID113226309
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide
SMILESCN(CC1CCCCO1)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H22N2O3/c1-15(9-11-4-2-3-7-18-11)13(17)10-5-6-12(16)14-8-10/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyIHTAOCJMIGJKQA-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 109400314
(3R)-N-methyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81140626
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 94152365
(3S)-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 95273672
(2R)-N-methyl-N-(oxolan-2-ylmethyl)piperidine-2-carboxamide
CID 103808733
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 81484591
N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 115691430
3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62781110
tert-butyl 3-[methyl(oxan-2-ylmethyl)carbamoyl]azetidine-1-carboxylate
CID 142434776
N,6-dimethyl-N-(oxan-2-ylmethyl)piperidine-2-carboxamide
CID 61436111
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride
CID 119655986

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide (CID 113226309) is N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide is CN(CC1CCCCO1)C(=O)C1CCC(=O)NC1.
What is the InChIKey of N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is IHTAOCJMIGJKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-15(9-11-4-2-3-7-18-11)13(17)10-5-6-12(16)14-8-10/h10-11H,2-9H2,1H3,(H,14,16).
What are the key properties of N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide?
N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 113226309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).