2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide

C19H22N4O2 — CID 4044164

IUPAC2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N4O2/c1-15-6-2-3-7-16(15)19(25)21-14-18(24)23-12-10-22(11-13-23)17-8-4-5-9-20-17/h2-9H,10-14H2,1H3,(H,21,25)
InChIKeyBDIBRFJWUCKPGX-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.47
Rot. Bonds4

About 2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide

2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide (PubChem CID 4044164) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
PubChem CID4044164
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N4O2/c1-15-6-2-3-7-16(15)19(25)21-14-18(24)23-12-10-22(11-13-23)17-8-4-5-9-20-17/h2-9H,10-14H2,1H3,(H,21,25)
InChIKeyBDIBRFJWUCKPGX-UHFFFAOYSA-N
XLogP1.47
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide (CID 4044164) is 2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide is Cc1ccccc1C(=O)NCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is BDIBRFJWUCKPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-15-6-2-3-7-16(15)19(25)21-14-18(24)23-12-10-22(11-13-23)17-8-4-5-9-20-17/h2-9H,10-14H2,1H3,(H,21,25).
What are the key properties of 2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide?
2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 4044164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).