1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone

C19H30N8O — CID 26390648

IUPAC1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone
SMILESCc1cc(N2CCN(C(=O)Cn3nnnc3CN(C)C(C)C)CC2)cc(C)n1
InChIInChI=1S/C19H30N8O/c1-14(2)24(5)12-18-21-22-23-27(18)13-19(28)26-8-6-25(7-9-26)17-10-15(3)20-16(4)11-17/h10-11,14H,6-9,12-13H2,1-5H3
InChIKeyBQKVSGACRQNRTG-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.87
Rot. Bonds6

About 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone

1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone (PubChem CID 26390648) has the molecular formula C19H30N8O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone
PubChem CID26390648
Molecular FormulaC19H30N8O
Molecular Weight386.50 g/mol
Exact Mass386.25
IUPAC Name1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone
SMILESCc1cc(N2CCN(C(=O)Cn3nnnc3CN(C)C(C)C)CC2)cc(C)n1
InChIInChI=1S/C19H30N8O/c1-14(2)24(5)12-18-21-22-23-27(18)13-19(28)26-8-6-25(7-9-26)17-10-15(3)20-16(4)11-17/h10-11,14H,6-9,12-13H2,1-5H3
InChIKeyBQKVSGACRQNRTG-UHFFFAOYSA-N
XLogP0.87
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone 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 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone (CID 26390648) is 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone is Cc1cc(N2CCN(C(=O)Cn3nnnc3CN(C)C(C)C)CC2)cc(C)n1.
What is the InChIKey of 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
The InChIKey is BQKVSGACRQNRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8O/c1-14(2)24(5)12-18-21-22-23-27(18)13-19(28)26-8-6-25(7-9-26)17-10-15(3)20-16(4)11-17/h10-11,14H,6-9,12-13H2,1-5H3.
What are the key properties of 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone has a molecular weight of 386.50 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone is sourced from PubChem (CID 26390648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).