N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide

C12H20N4O3 — CID 66754582

IUPACN-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C12H20N4O3/c1-2-13-12(19)16-5-3-15(4-6-16)11(18)9-7-10(17)14-8-9/h9H,2-8H2,1H3,(H,13,19)(H,14,17)
InChIKeyNRHJYAZEYXSNTD-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.00
Rot. Bonds2

About N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide

N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide (PubChem CID 66754582) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide
PubChem CID66754582
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C12H20N4O3/c1-2-13-12(19)16-5-3-15(4-6-16)11(18)9-7-10(17)14-8-9/h9H,2-8H2,1H3,(H,13,19)(H,14,17)
InChIKeyNRHJYAZEYXSNTD-UHFFFAOYSA-N
XLogP-1.00
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide (CID 66754582) is N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)C2CNC(=O)C2)CC1.
What is the InChIKey of N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide?
The InChIKey is NRHJYAZEYXSNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-2-13-12(19)16-5-3-15(4-6-16)11(18)9-7-10(17)14-8-9/h9H,2-8H2,1H3,(H,13,19)(H,14,17).
What are the key properties of N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide?
N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 66754582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).