1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide

C11H19N3O2 — CID 166208494

IUPAC1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide
SMILESCN1CCC(N2CCC(C(N)=O)CC2)C1=O
InChIInChI=1S/C11H19N3O2/c1-13-5-4-9(11(13)16)14-6-2-8(3-7-14)10(12)15/h8-9H,2-7H2,1H3,(H2,12,15)
InChIKeyXERCSJPJRMIWMQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.59
Rot. Bonds2

About 1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide

1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide (PubChem CID 166208494) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide
PubChem CID166208494
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide
SMILESCN1CCC(N2CCC(C(N)=O)CC2)C1=O
InChIInChI=1S/C11H19N3O2/c1-13-5-4-9(11(13)16)14-6-2-8(3-7-14)10(12)15/h8-9H,2-7H2,1H3,(H2,12,15)
InChIKeyXERCSJPJRMIWMQ-UHFFFAOYSA-N
XLogP-0.59
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide (CID 166208494) is 1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide is CN1CCC(N2CCC(C(N)=O)CC2)C1=O.
What is the InChIKey of 1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide?
The InChIKey is XERCSJPJRMIWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-13-5-4-9(11(13)16)14-6-2-8(3-7-14)10(12)15/h8-9H,2-7H2,1H3,(H2,12,15).
What are the key properties of 1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide?
1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide has a molecular weight of 225.29 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 166208494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).