5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid

C13H16N4O4 — CID 120685506

IUPAC5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCC(=O)N2CCCCC2)cn1
InChIInChI=1S/C13H16N4O4/c18-11(17-4-2-1-3-5-17)8-16-12(19)9-6-15-10(7-14-9)13(20)21/h6-7H,1-5,8H2,(H,16,19)(H,20,21)
InChIKeyLYWXZSJFSBCQDP-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.08
Rot. Bonds4

About 5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid

5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685506) has the molecular formula C13H16N4O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685506
Molecular FormulaC13H16N4O4
Molecular Weight292.29 g/mol
Exact Mass292.12
IUPAC Name5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCC(=O)N2CCCCC2)cn1
InChIInChI=1S/C13H16N4O4/c18-11(17-4-2-1-3-5-17)8-16-12(19)9-6-15-10(7-14-9)13(20)21/h6-7H,1-5,8H2,(H,16,19)(H,20,21)
InChIKeyLYWXZSJFSBCQDP-UHFFFAOYSA-N
XLogP-0.08
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide
CID 103803397
N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112686233
5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 117213082
5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 115618777
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 46525121
N-(2-morpholin-4-yl-2-oxoethyl)pyrazine-2-carboxamide
CID 110741937
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 103908567
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 112695851
5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide
CID 104639214
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 95043723
5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685018

Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120685506) is 5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)NCC(=O)N2CCCCC2)cn1.
What is the InChIKey of 5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is LYWXZSJFSBCQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c18-11(17-4-2-1-3-5-17)8-16-12(19)9-6-15-10(7-14-9)13(20)21/h6-7H,1-5,8H2,(H,16,19)(H,20,21).
What are the key properties of 5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).