1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide

C10H16N4O3 — CID 114081877

IUPAC1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CNC(=O)CN2)C1
InChIInChI=1S/C10H16N4O3/c11-9(16)6-1-2-14(5-6)10(17)7-3-13-8(15)4-12-7/h6-7,12H,1-5H2,(H2,11,16)(H,13,15)
InChIKeyMRMXQDDWSHRBJF-UHFFFAOYSA-N
MW240.26 g/mol
LogP-2.59
Rot. Bonds2

About 1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide

1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 114081877) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID114081877
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CNC(=O)CN2)C1
InChIInChI=1S/C10H16N4O3/c11-9(16)6-1-2-14(5-6)10(17)7-3-13-8(15)4-12-7/h6-7,12H,1-5H2,(H2,11,16)(H,13,15)
InChIKeyMRMXQDDWSHRBJF-UHFFFAOYSA-N
XLogP-2.59
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-2.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide (CID 114081877) is 1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)C2CNC(=O)CN2)C1.
What is the InChIKey of 1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is MRMXQDDWSHRBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c11-9(16)6-1-2-14(5-6)10(17)7-3-13-8(15)4-12-7/h6-7,12H,1-5H2,(H2,11,16)(H,13,15).
What are the key properties of 1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide?
1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114081877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).