(4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone

C23H22N6OS — CID 26360900

IUPAC(4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone
SMILESO=C(c1cc(-c2cccs2)cc(-n2cnnn2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H22N6OS/c30-23(28-10-8-27(9-11-28)16-18-5-2-1-3-6-18)20-13-19(22-7-4-12-31-22)14-21(15-20)29-17-24-25-26-29/h1-7,12-15,17H,8-11,16H2
InChIKeyHGUWLSFTLGOZBH-UHFFFAOYSA-N
MW430.54 g/mol
LogP3.35
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone

(4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone (PubChem CID 26360900) has the molecular formula C23H22N6OS and a molecular weight of 430.54 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone
PubChem CID26360900
Molecular FormulaC23H22N6OS
Molecular Weight430.54 g/mol
Exact Mass430.16
IUPAC Name(4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone
SMILESO=C(c1cc(-c2cccs2)cc(-n2cnnn2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H22N6OS/c30-23(28-10-8-27(9-11-28)16-18-5-2-1-3-6-18)20-13-19(22-7-4-12-31-22)14-21(15-20)29-17-24-25-26-29/h1-7,12-15,17H,8-11,16H2
InChIKeyHGUWLSFTLGOZBH-UHFFFAOYSA-N
XLogP3.35
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

piperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone
CID 26358033
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 51292540
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 39191568
4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 47039545
phenyl-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 8597017
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
(4-benzylsulfonylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 9298725
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 37399862
3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118760169
(5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate
CID 57455823
(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 17462290
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone (CID 26360900) is (4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone is O=C(c1cc(-c2cccs2)cc(-n2cnnn2)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone?
The InChIKey is HGUWLSFTLGOZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6OS/c30-23(28-10-8-27(9-11-28)16-18-5-2-1-3-6-18)20-13-19(22-7-4-12-31-22)14-21(15-20)29-17-24-25-26-29/h1-7,12-15,17H,8-11,16H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone?
(4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone has a molecular weight of 430.54 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone is sourced from PubChem (CID 26360900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).