1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

C12H21N3O2 — CID 168696194

IUPAC1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCC(N2CC(C(N)=O)CC2=O)CC1
InChIInChI=1S/C12H21N3O2/c1-2-14-5-3-10(4-6-14)15-8-9(12(13)17)7-11(15)16/h9-10H,2-8H2,1H3,(H2,13,17)
InChIKeyYMELYDOAOJUPQH-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.20
Rot. Bonds3

About 1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696194) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696194
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCC(N2CC(C(N)=O)CC2=O)CC1
InChIInChI=1S/C12H21N3O2/c1-2-14-5-3-10(4-6-14)15-8-9(12(13)17)7-11(15)16/h9-10H,2-8H2,1H3,(H2,13,17)
InChIKeyYMELYDOAOJUPQH-UHFFFAOYSA-N
XLogP-0.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696646
1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 126899618
1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 126899610
1-(1-ethylpiperidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669798
1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide
CID 69419093
4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one
CID 168503801
1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 126899625
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 126899660
benzene;1-ethylpiperidine-4-carboxamide
CID 91582947

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 168696194) is 1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is CCN1CCC(N2CC(C(N)=O)CC2=O)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YMELYDOAOJUPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-14-5-3-10(4-6-14)15-8-9(12(13)17)7-11(15)16/h9-10H,2-8H2,1H3,(H2,13,17).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).