1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one

C18H26N6O2 — CID 70754908

IUPAC1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCn3nnnc3C)CC2(C)C)cc1
InChIInChI=1S/C18H26N6O2/c1-14-19-20-21-24(14)10-9-17(25)22-11-12-23(18(2,3)13-22)15-5-7-16(26-4)8-6-15/h5-8H,9-13H2,1-4H3
InChIKeyOAKRKWJDUXZKHY-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.51
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one

1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one (PubChem CID 70754908) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
PubChem CID70754908
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCn3nnnc3C)CC2(C)C)cc1
InChIInChI=1S/C18H26N6O2/c1-14-19-20-21-24(14)10-9-17(25)22-11-12-23(18(2,3)13-22)15-5-7-16(26-4)8-6-15/h5-8H,9-13H2,1-4H3
InChIKeyOAKRKWJDUXZKHY-UHFFFAOYSA-N
XLogP1.51
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-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 1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one (CID 70754908) is 1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one is COc1ccc(N2CCN(C(=O)CCn3nnnc3C)CC2(C)C)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The InChIKey is OAKRKWJDUXZKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-14-19-20-21-24(14)10-9-17(25)22-11-12-23(18(2,3)13-22)15-5-7-16(26-4)8-6-15/h5-8H,9-13H2,1-4H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one has a molecular weight of 358.45 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one is sourced from PubChem (CID 70754908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).