2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide

C13H18N4O2 — CID 108517044

IUPAC2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
SMILESCN1CCN(C(=O)C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C13H18N4O2/c1-16-6-8-17(9-7-16)13(19)12(18)15-10-11-4-2-3-5-14-11/h2-5H,6-10H2,1H3,(H,15,18)
InChIKeyNGOCSGKFOHXIBM-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.53
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide

2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 108517044) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
PubChem CID108517044
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
SMILESCN1CCN(C(=O)C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C13H18N4O2/c1-16-6-8-17(9-7-16)13(19)12(18)15-10-11-4-2-3-5-14-11/h2-5H,6-10H2,1H3,(H,15,18)
InChIKeyNGOCSGKFOHXIBM-UHFFFAOYSA-N
XLogP-0.53
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108944337
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108518342
2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108518394
2-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109134155
4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108387
(Z)-2-(4-methylpiperazine-1-carbonyl)-3-(pyridin-2-ylmethylamino)prop-2-enenitrile
CID 108861898
5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109104414
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108394
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide (CID 108517044) is 2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide is CN1CCN(C(=O)C(=O)NCc2ccccn2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is NGOCSGKFOHXIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16-6-8-17(9-7-16)13(19)12(18)15-10-11-4-2-3-5-14-11/h2-5H,6-10H2,1H3,(H,15,18).
What are the key properties of 2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 262.31 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 108517044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).