5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide

C11H16N4O2 — CID 106390933

IUPAC5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NCCn2cccc2)CN1
InChIInChI=1S/C11H16N4O2/c16-10-8-13-9(7-14-10)11(17)12-3-6-15-4-1-2-5-15/h1-2,4-5,9,13H,3,6-8H2,(H,12,17)(H,14,16)
InChIKeyXQAFWZDWDFSNRX-UHFFFAOYSA-N
MW236.27 g/mol
LogP-1.31
Rot. Bonds4

About 5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide

5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide (PubChem CID 106390933) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide
PubChem CID106390933
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NCCn2cccc2)CN1
InChIInChI=1S/C11H16N4O2/c16-10-8-13-9(7-14-10)11(17)12-3-6-15-4-1-2-5-15/h1-2,4-5,9,13H,3,6-8H2,(H,12,17)(H,14,16)
InChIKeyXQAFWZDWDFSNRX-UHFFFAOYSA-N
XLogP-1.31
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylethyl)-5-oxopiperazine-2-carboxamide
CID 107433529
N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide
CID 107842610
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436502
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-oxopiperazine-2-carboxamide
CID 107437787
N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436261
2-[2-[(5-oxopiperazine-2-carbonyl)amino]ethyl]benzoic acid
CID 77022994
N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437406
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
N-[2-(2-methoxyethoxy)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436155
5-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2-carboxamide
CID 106428188
5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide
CID 107436034

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide?
The IUPAC name of 5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide (CID 106390933) is 5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide is O=C1CNC(C(=O)NCCn2cccc2)CN1.
What is the InChIKey of 5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide?
The InChIKey is XQAFWZDWDFSNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10-8-13-9(7-14-10)11(17)12-3-6-15-4-1-2-5-15/h1-2,4-5,9,13H,3,6-8H2,(H,12,17)(H,14,16).
What are the key properties of 5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide?
5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 106390933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).