4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide

C12H22N2O2 — CID 114424400

IUPAC4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NC2CCOC2C)C1
InChIInChI=1S/C12H22N2O2/c1-8-3-5-13-11(7-8)12(15)14-10-4-6-16-9(10)2/h8-11,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyDYLCARAYMCQGKJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds2

About 4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide

4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide (PubChem CID 114424400) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide
PubChem CID114424400
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NC2CCOC2C)C1
InChIInChI=1S/C12H22N2O2/c1-8-3-5-13-11(7-8)12(15)14-10-4-6-16-9(10)2/h8-11,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyDYLCARAYMCQGKJ-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide (CID 114424400) is 4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide is CC1CCNC(C(=O)NC2CCOC2C)C1.
What is the InChIKey of 4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide?
The InChIKey is DYLCARAYMCQGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8-3-5-13-11(7-8)12(15)14-10-4-6-16-9(10)2/h8-11,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide?
4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide is sourced from PubChem (CID 114424400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).