N-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide

C13H22N2O3 — CID 113252970

IUPACN-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCC1(CNC(=O)C2CCC(=O)NC2)CCOCC1
InChIInChI=1S/C13H22N2O3/c1-13(4-6-18-7-5-13)9-15-12(17)10-2-3-11(16)14-8-10/h10H,2-9H2,1H3,(H,14,16)(H,15,17)
InChIKeyGAZFFTKQJPQIJR-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.45
Rot. Bonds3

About N-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide

N-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 113252970) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID113252970
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCC1(CNC(=O)C2CCC(=O)NC2)CCOCC1
InChIInChI=1S/C13H22N2O3/c1-13(4-6-18-7-5-13)9-15-12(17)10-2-3-11(16)14-8-10/h10H,2-9H2,1H3,(H,14,16)(H,15,17)
InChIKeyGAZFFTKQJPQIJR-UHFFFAOYSA-N
XLogP0.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyloxetan-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 78956601
N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 114618525
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 103800436
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
N-[(4-methylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 113400555
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
N-(2,2-dicyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036656
N-(2-cyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036834
2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid
CID 83192791
N-[3-(dimethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
CID 112728984
N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide
CID 103617435
N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223533

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 113252970) is N-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide is CC1(CNC(=O)C2CCC(=O)NC2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is GAZFFTKQJPQIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(4-6-18-7-5-13)9-15-12(17)10-2-3-11(16)14-8-10/h10H,2-9H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
N-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 113252970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).