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

C12H16N4O2 — CID 107433872

IUPAC5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide
SMILESCC(NC(=O)C1CNC(=O)CN1)c1ccccn1
InChIInChI=1S/C12H16N4O2/c1-8(9-4-2-3-5-13-9)16-12(18)10-6-15-11(17)7-14-10/h2-5,8,10,14H,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyNZASYOUGBPCZDC-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.65
Rot. Bonds3

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

5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide (PubChem CID 107433872) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide
PubChem CID107433872
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide
SMILESCC(NC(=O)C1CNC(=O)CN1)c1ccccn1
InChIInChI=1S/C12H16N4O2/c1-8(9-4-2-3-5-13-9)16-12(18)10-6-15-11(17)7-14-10/h2-5,8,10,14H,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyNZASYOUGBPCZDC-UHFFFAOYSA-N
XLogP-0.65
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 103813258
N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435694
N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 81407011
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436715
5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]piperazine-2-carboxamide
CID 114158960
N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide
CID 107434402
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107437229
N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433640
N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107434854
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide
CID 107434506

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide?
The IUPAC name of 5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide (CID 107433872) is 5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide is CC(NC(=O)C1CNC(=O)CN1)c1ccccn1.
What is the InChIKey of 5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide?
The InChIKey is NZASYOUGBPCZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(9-4-2-3-5-13-9)16-12(18)10-6-15-11(17)7-14-10/h2-5,8,10,14H,6-7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide?
5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 107433872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).