3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide

C14H20N4O2 — CID 108944337

IUPAC3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide
SMILESCN1CCN(C(=O)CC(=O)NCc2ccccn2)CC1
InChIInChI=1S/C14H20N4O2/c1-17-6-8-18(9-7-17)14(20)10-13(19)16-11-12-4-2-3-5-15-12/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyPVJDVHSPPLEBAG-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.14
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide

3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 108944337) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide
PubChem CID108944337
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide
SMILESCN1CCN(C(=O)CC(=O)NCc2ccccn2)CC1
InChIInChI=1S/C14H20N4O2/c1-17-6-8-18(9-7-17)14(20)10-13(19)16-11-12-4-2-3-5-15-12/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyPVJDVHSPPLEBAG-UHFFFAOYSA-N
XLogP-0.14
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108517044
2-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109134155
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-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108387
1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide
CID 3485288
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 109017955
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108394
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide (CID 108944337) is 3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide is CN1CCN(C(=O)CC(=O)NCc2ccccn2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is PVJDVHSPPLEBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17-6-8-18(9-7-17)14(20)10-13(19)16-11-12-4-2-3-5-15-12/h2-5H,6-11H2,1H3,(H,16,19).
What are the key properties of 3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide?
3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 276.34 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 108944337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).