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

C11H18N2O3 — CID 78956601

IUPACN-[(3-methyloxetan-3-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCC1(CNC(=O)C2CCC(=O)NC2)COC1
InChIInChI=1S/C11H18N2O3/c1-11(6-16-7-11)5-13-10(15)8-2-3-9(14)12-4-8/h8H,2-7H2,1H3,(H,12,14)(H,13,15)
InChIKeyXCCJSPIZTHNSBG-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.33
Rot. Bonds3

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

N-[(3-methyloxetan-3-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 78956601) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID78956601
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCC1(CNC(=O)C2CCC(=O)NC2)COC1
InChIInChI=1S/C11H18N2O3/c1-11(6-16-7-11)5-13-10(15)8-2-3-9(14)12-4-8/h8H,2-7H2,1H3,(H,12,14)(H,13,15)
InChIKeyXCCJSPIZTHNSBG-UHFFFAOYSA-N
XLogP-0.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 78956601) is N-[(3-methyloxetan-3-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-6-oxopiperidine-3-carboxamide is CC1(CNC(=O)C2CCC(=O)NC2)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is XCCJSPIZTHNSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(6-16-7-11)5-13-10(15)8-2-3-9(14)12-4-8/h8H,2-7H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
N-[(3-methyloxetan-3-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 78956601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).