N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide

C12H16N4O2 — CID 107433918

IUPACN-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
SMILESCN(Cc1ccccn1)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H16N4O2/c1-16(8-9-4-2-3-5-13-9)12(18)10-6-15-11(17)7-14-10/h2-5,10,14H,6-8H2,1H3,(H,15,17)
InChIKeyZZLHSBYFMWTTOJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.87
Rot. Bonds3

About N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide

N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide (PubChem CID 107433918) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
PubChem CID107433918
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
SMILESCN(Cc1ccccn1)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H16N4O2/c1-16(8-9-4-2-3-5-13-9)12(18)10-6-15-11(17)7-14-10/h2-5,10,14H,6-8H2,1H3,(H,15,17)
InChIKeyZZLHSBYFMWTTOJ-UHFFFAOYSA-N
XLogP-0.87
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107436138
N-methyl-5-oxo-N-(2-phenylethyl)piperazine-2-carboxamide
CID 107435243
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107436592
N-[(4-cyanophenyl)methyl]-N-methyl-5-oxopiperazine-2-carboxamide
CID 107435093
N-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565255
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 95247432
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107435917
5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 107433872
N-methyl-N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372384
N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026
N-methyl-2-piperidin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 55105100
trans-(1S,2S)-2-(furan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 97314930

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide (CID 107433918) is N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide is CN(Cc1ccccn1)C(=O)C1CNC(=O)CN1.
What is the InChIKey of N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The InChIKey is ZZLHSBYFMWTTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-16(8-9-4-2-3-5-13-9)12(18)10-6-15-11(17)7-14-10/h2-5,10,14H,6-8H2,1H3,(H,15,17).
What are the key properties of N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 107433918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).