[4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone

C19H20N6O2 — CID 38573728

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)c1
InChIInChI=1S/C19H20N6O2/c1-27-18-4-2-3-17(13-18)23-9-11-24(12-10-23)19(26)15-5-7-16(8-6-15)25-14-20-21-22-25/h2-8,13-14H,9-12H2,1H3
InChIKeyZFMVENHSSMOFRA-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.63
Rot. Bonds4

About [4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone

[4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone (PubChem CID 38573728) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
PubChem CID38573728
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)c1
InChIInChI=1S/C19H20N6O2/c1-27-18-4-2-3-17(13-18)23-9-11-24(12-10-23)19(26)15-5-7-16(8-6-15)25-14-20-21-22-25/h2-8,13-14H,9-12H2,1H3
InChIKeyZFMVENHSSMOFRA-UHFFFAOYSA-N
XLogP1.63
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone with MolForge

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Related Compounds

[2-bromo-5-(tetrazol-1-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 39349949
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396
[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 31912991
N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934975
(4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 46562920
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 55631974
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122346676
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122332371
(4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
CID 28935289

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone (CID 38573728) is [4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone is COc1cccc(N2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is ZFMVENHSSMOFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-27-18-4-2-3-17(13-18)23-9-11-24(12-10-23)19(26)15-5-7-16(8-6-15)25-14-20-21-22-25/h2-8,13-14H,9-12H2,1H3.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 364.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 38573728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).