2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide

C13H23N3O2 — CID 83071553

IUPAC2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC2CCC(=O)N(C)C2)CCCN1
InChIInChI=1S/C13H23N3O2/c1-3-13(7-4-8-14-13)12(18)15-10-5-6-11(17)16(2)9-10/h10,14H,3-9H2,1-2H3,(H,15,18)
InChIKeyNUBAHMZUOQSGPL-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.26
Rot. Bonds3

About 2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide

2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide (PubChem CID 83071553) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
PubChem CID83071553
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC2CCC(=O)N(C)C2)CCCN1
InChIInChI=1S/C13H23N3O2/c1-3-13(7-4-8-14-13)12(18)15-10-5-6-11(17)16(2)9-10/h10,14H,3-9H2,1-2H3,(H,15,18)
InChIKeyNUBAHMZUOQSGPL-UHFFFAOYSA-N
XLogP0.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide (CID 83071553) is 2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide is CCC1(C(=O)NC2CCC(=O)N(C)C2)CCCN1.
What is the InChIKey of 2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is NUBAHMZUOQSGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-13(7-4-8-14-13)12(18)15-10-5-6-11(17)16(2)9-10/h10,14H,3-9H2,1-2H3,(H,15,18).
What are the key properties of 2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide?
2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83071553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).