2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone

C14H18N6O — CID 1132849

IUPAC2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
SMILESNc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C14H18N6O/c15-12-6-4-11(5-7-12)14-16-18-20(17-14)10-13(21)19-8-2-1-3-9-19/h4-7H,1-3,8-10,15H2
InChIKeyQJCDQGSZXLWSJG-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.93
Rot. Bonds3

About 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone

2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone (PubChem CID 1132849) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
PubChem CID1132849
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
SMILESNc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C14H18N6O/c15-12-6-4-11(5-7-12)14-16-18-20(17-14)10-13(21)19-8-2-1-3-9-19/h4-7H,1-3,8-10,15H2
InChIKeyQJCDQGSZXLWSJG-UHFFFAOYSA-N
XLogP0.93
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-Piperidin-1-yl-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 863245
2-(5-Phenyltetrazol-2-yl)-1-piperidin-1-ylethanone
CID 866087
4-methyl-1-[(5-phenyl-2H-tetrazol-2-yl)acetyl]piperidine
CID 895545
2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-1-piperidin-1-yl-ethanone
CID 590954
2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 646660
1-(4-fluorophenyl)-4-[(5-phenyl-2H-tetrazol-2-yl)acetyl]piperazine
CID 1264121
2-[5-[4-(Piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide
CID 1462968
4-{4-[2-(5-Phenyl-tetrazol-2-yl)-acetylamino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester
CID 6603560
1-(3,5-Dimethylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 16314377
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-1-(4-methyl-piperidin-1-yl)-ethanone
CID 1463679
1-(2,6-Dimethyl-piperidin-1-yl)-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 3170399
1-(2,6-Dimethylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 16306593

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone (CID 1132849) is 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone is Nc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1.
What is the InChIKey of 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is QJCDQGSZXLWSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c15-12-6-4-11(5-7-12)14-16-18-20(17-14)10-13(21)19-8-2-1-3-9-19/h4-7H,1-3,8-10,15H2.
What are the key properties of 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 286.34 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 1132849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).