5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide

C11H14N4O2 — CID 68593798

IUPAC5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(CN2CCNC(=O)C2)cn1
InChIInChI=1S/C11H14N4O2/c12-11(17)9-2-1-8(5-14-9)6-15-4-3-13-10(16)7-15/h1-2,5H,3-4,6-7H2,(H2,12,17)(H,13,16)
InChIKeyAQPADNWFKCQWBU-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.89
Rot. Bonds3

About 5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide

5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide (PubChem CID 68593798) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide
PubChem CID68593798
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(CN2CCNC(=O)C2)cn1
InChIInChI=1S/C11H14N4O2/c12-11(17)9-2-1-8(5-14-9)6-15-4-3-13-10(16)7-15/h1-2,5H,3-4,6-7H2,(H2,12,17)(H,13,16)
InChIKeyAQPADNWFKCQWBU-UHFFFAOYSA-N
XLogP-0.89
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-pyrrol-3-ylmethyl)piperazin-2-one
CID 126997870
4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one
CID 103054010
4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one
CID 118632989
4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one
CID 103060800
4-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]piperazin-2-one
CID 54969065
2-[4-[(3-oxopiperazin-1-yl)methyl]phenyl]benzoic acid
CID 110097407
5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid
CID 117213210
4-[(4-aminophenyl)methyl]-1,4-diazepan-2-one
CID 65361416
4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one
CID 62472006
3-[4-[(3-oxo-1,4-diazepan-1-yl)methyl]phenyl]prop-2-enoic acid
CID 77066548
5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397934
4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one
CID 139019667

Frequently Asked Questions

What is the IUPAC name of 5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide (CID 68593798) is 5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide is NC(=O)c1ccc(CN2CCNC(=O)C2)cn1.
What is the InChIKey of 5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide?
The InChIKey is AQPADNWFKCQWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-11(17)9-2-1-8(5-14-9)6-15-4-3-13-10(16)7-15/h1-2,5H,3-4,6-7H2,(H2,12,17)(H,13,16).
What are the key properties of 5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide?
5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide has a molecular weight of 234.26 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 68593798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).