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

C17H22N6O — CID 128927605

IUPAC(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H22N6O/c24-17(14-4-3-7-16(12-14)23-13-18-19-20-23)22-10-8-21(9-11-22)15-5-1-2-6-15/h3-4,7,12-13,15H,1-2,5-6,8-11H2
InChIKeyUICAJQSTIKSVOK-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.36
Rot. Bonds3

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

(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 128927605) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID128927605
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H22N6O/c24-17(14-4-3-7-16(12-14)23-13-18-19-20-23)22-10-8-21(9-11-22)15-5-1-2-6-15/h3-4,7,12-13,15H,1-2,5-6,8-11H2
InChIKeyUICAJQSTIKSVOK-UHFFFAOYSA-N
XLogP1.36
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 26519874
(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113704
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 55474017
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122348210
(7-phenyl-1,4-thiazepan-4-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 90629300
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
2-methyl-4-phenyl-5-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540322
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 95282434
(4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 128926995
[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 9463055

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone (CID 128927605) is (4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone is O=C(c1cccc(-n2cnnn2)c1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is UICAJQSTIKSVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c24-17(14-4-3-7-16(12-14)23-13-18-19-20-23)22-10-8-21(9-11-22)15-5-1-2-6-15/h3-4,7,12-13,15H,1-2,5-6,8-11H2.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 326.40 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 128927605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).