3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide

C15H26N2O3 — CID 167085990

IUPAC3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide
SMILESCC(CC1CCC(C)(C(N)=O)CO1)C1CCNC(=O)C1
InChIInChI=1S/C15H26N2O3/c1-10(11-4-6-17-13(18)8-11)7-12-3-5-15(2,9-20-12)14(16)19/h10-12H,3-9H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyLKAKGFNMQDVUDM-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.21
Rot. Bonds4

About 3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide

3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide (PubChem CID 167085990) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide.

Molecular Properties

Compound Name3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide
PubChem CID167085990
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide
SMILESCC(CC1CCC(C)(C(N)=O)CO1)C1CCNC(=O)C1
InChIInChI=1S/C15H26N2O3/c1-10(11-4-6-17-13(18)8-11)7-12-3-5-15(2,9-20-12)14(16)19/h10-12H,3-9H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyLKAKGFNMQDVUDM-UHFFFAOYSA-N
XLogP1.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide?
The IUPAC name of 3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide (CID 167085990) is 3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide.
What is the SMILES notation for 3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide?
The canonical SMILES for 3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide is CC(CC1CCC(C)(C(N)=O)CO1)C1CCNC(=O)C1.
What is the InChIKey of 3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide?
The InChIKey is LKAKGFNMQDVUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(11-4-6-17-13(18)8-11)7-12-3-5-15(2,9-20-12)14(16)19/h10-12H,3-9H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide?
3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide is sourced from PubChem (CID 167085990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).