[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

C13H16N6O — CID 166233275

IUPAC[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)CCN1
InChIInChI=1S/C13H16N6O/c1-10-8-18(6-5-14-10)13(20)11-3-2-4-12(7-11)19-9-15-16-17-19/h2-4,7,9-10,14H,5-6,8H2,1H3/t10-/m1/s1
InChIKeyLCJJXMJCTZDWHW-SNVBAGLBSA-N
MW272.31 g/mol
LogP0.10
Rot. Bonds2

About [(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 166233275) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is [(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID166233275
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)CCN1
InChIInChI=1S/C13H16N6O/c1-10-8-18(6-5-14-10)13(20)11-3-2-4-12(7-11)19-9-15-16-17-19/h2-4,7,9-10,14H,5-6,8H2,1H3/t10-/m1/s1
InChIKeyLCJJXMJCTZDWHW-SNVBAGLBSA-N
XLogP0.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 94017586
(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120572200
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426598
(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113704
[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 52523347
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
(2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 122331774
methyl 3-[(3S)-3-methylpiperazine-1-carbonyl]benzoate
CID 176515178
(3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride
CID 119580143
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 120809441

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (CID 166233275) is [(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is C[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)CCN1.
What is the InChIKey of [(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is LCJJXMJCTZDWHW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N6O/c1-10-8-18(6-5-14-10)13(20)11-3-2-4-12(7-11)19-9-15-16-17-19/h2-4,7,9-10,14H,5-6,8H2,1H3/t10-/m1/s1.
What are the key properties of [(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 272.31 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 166233275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).