5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one

C20H25N7O — CID 155583001

IUPAC5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one
SMILESCN1CCN(C(c2ccc(=O)[nH]c2)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C20H25N7O/c1-25-11-13-26(14-12-25)19(17-7-8-18(28)21-15-17)20-22-23-24-27(20)10-9-16-5-3-2-4-6-16/h2-8,15,19H,9-14H2,1H3,(H,21,28)
InChIKeyIOOLBHAMVOZBEG-UHFFFAOYSA-N
MW379.47 g/mol
LogP0.94
Rot. Bonds6

About 5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one

5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one (PubChem CID 155583001) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one
PubChem CID155583001
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one
SMILESCN1CCN(C(c2ccc(=O)[nH]c2)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C20H25N7O/c1-25-11-13-26(14-12-25)19(17-7-8-18(28)21-15-17)20-22-23-24-27(20)10-9-16-5-3-2-4-6-16/h2-8,15,19H,9-14H2,1H3,(H,21,28)
InChIKeyIOOLBHAMVOZBEG-UHFFFAOYSA-N
XLogP0.94
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one (CID 155583001) is 5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one is CN1CCN(C(c2ccc(=O)[nH]c2)c2nnnn2CCc2ccccc2)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one?
The InChIKey is IOOLBHAMVOZBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-25-11-13-26(14-12-25)19(17-7-8-18(28)21-15-17)20-22-23-24-27(20)10-9-16-5-3-2-4-6-16/h2-8,15,19H,9-14H2,1H3,(H,21,28).
What are the key properties of 5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one?
5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one has a molecular weight of 379.47 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 155583001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).