1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one

C22H33N7O3 — CID 24817332

IUPAC1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCCn3nnnc3CN3CCOCC3)C(C)C2)cc1
InChIInChI=1S/C22H33N7O3/c1-18-16-27(19-5-7-20(31-2)8-6-19)10-11-28(18)22(30)4-3-9-29-21(23-24-25-29)17-26-12-14-32-15-13-26/h5-8,18H,3-4,9-17H2,1-2H3
InChIKeyFNARWZNDTUYXHW-UHFFFAOYSA-N
MW443.55 g/mol
LogP1.03
Rot. Bonds8

About 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one

1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one (PubChem CID 24817332) has the molecular formula C22H33N7O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
PubChem CID24817332
Molecular FormulaC22H33N7O3
Molecular Weight443.55 g/mol
Exact Mass443.26
IUPAC Name1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCCn3nnnc3CN3CCOCC3)C(C)C2)cc1
InChIInChI=1S/C22H33N7O3/c1-18-16-27(19-5-7-20(31-2)8-6-19)10-11-28(18)22(30)4-3-9-29-21(23-24-25-29)17-26-12-14-32-15-13-26/h5-8,18H,3-4,9-17H2,1-2H3
InChIKeyFNARWZNDTUYXHW-UHFFFAOYSA-N
XLogP1.03
TPSA88.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-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)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one?
The IUPAC name of 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one (CID 24817332) is 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one is COc1ccc(N2CCN(C(=O)CCCn3nnnc3CN3CCOCC3)C(C)C2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one?
The InChIKey is FNARWZNDTUYXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O3/c1-18-16-27(19-5-7-20(31-2)8-6-19)10-11-28(18)22(30)4-3-9-29-21(23-24-25-29)17-26-12-14-32-15-13-26/h5-8,18H,3-4,9-17H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one?
1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one has a molecular weight of 443.55 g/mol, XLogP of 1.03, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one is sourced from PubChem (CID 24817332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).