[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone

C18H23N7O — CID 133108283

IUPAC[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone
SMILESO=C(c1ccccc1C1NNNN1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H23N7O/c26-18(16-6-2-1-5-15(16)17-20-22-23-21-17)25-10-8-24(9-11-25)13-14-4-3-7-19-12-14/h1-7,12,17,20-23H,8-11,13H2
InChIKeyUNXVOUHNYGDLQM-UHFFFAOYSA-N
MW353.43 g/mol
LogP0.16
Rot. Bonds4

About [4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone

[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone (PubChem CID 133108283) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is [4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone
PubChem CID133108283
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone
SMILESO=C(c1ccccc1C1NNNN1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H23N7O/c26-18(16-6-2-1-5-15(16)17-20-22-23-21-17)25-10-8-24(9-11-25)13-14-4-3-7-19-12-14/h1-7,12,17,20-23H,8-11,13H2
InChIKeyUNXVOUHNYGDLQM-UHFFFAOYSA-N
XLogP0.16
TPSA84.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2-iodophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572564
(2,3-dichlorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19574158
1H-pyrazol-4-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 60785975
(5-methyl-1-phenylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 134035746
(4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572632
(4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572698
(8-hydroxyquinolin-7-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 167791873
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzoic acid
CID 25408292
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55493749
benzyl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 110709124
2-methyl-3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 114897633

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone?
The IUPAC name of [4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone (CID 133108283) is [4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone.
What is the SMILES notation for [4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone?
The canonical SMILES for [4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone is O=C(c1ccccc1C1NNNN1)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of [4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone?
The InChIKey is UNXVOUHNYGDLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c26-18(16-6-2-1-5-15(16)17-20-22-23-21-17)25-10-8-24(9-11-25)13-14-4-3-7-19-12-14/h1-7,12,17,20-23H,8-11,13H2.
What are the key properties of [4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone?
[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone has a molecular weight of 353.43 g/mol, XLogP of 0.16, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone is sourced from PubChem (CID 133108283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).