4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide

C19H22N8O — CID 119062377

IUPAC4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide
SMILESCc1nnnn1Cc1ccc(C(=O)NC2CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C19H22N8O/c1-14-23-24-25-27(14)12-15-4-6-16(7-5-15)19(28)22-17-3-2-10-26(13-17)18-11-20-8-9-21-18/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,22,28)
InChIKeyIMBTYEPJBQOOLF-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.22
Rot. Bonds5

About 4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide

4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide (PubChem CID 119062377) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide
PubChem CID119062377
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide
SMILESCc1nnnn1Cc1ccc(C(=O)NC2CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C19H22N8O/c1-14-23-24-25-27(14)12-15-4-6-16(7-5-15)19(28)22-17-3-2-10-26(13-17)18-11-20-8-9-21-18/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,22,28)
InChIKeyIMBTYEPJBQOOLF-UHFFFAOYSA-N
XLogP1.22
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126448073
3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
CID 126430008
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzamide
CID 42239963
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 126449009
3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126433211
1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide
CID 126429000
2-(1-methylimidazol-2-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126449446
5-(2-methylpropyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 91838367
2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126449447
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 118782684

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide?
The IUPAC name of 4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide (CID 119062377) is 4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide is Cc1nnnn1Cc1ccc(C(=O)NC2CCCN(c3cnccn3)C2)cc1.
What is the InChIKey of 4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide?
The InChIKey is IMBTYEPJBQOOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-14-23-24-25-27(14)12-15-4-6-16(7-5-15)19(28)22-17-3-2-10-26(13-17)18-11-20-8-9-21-18/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,22,28).
What are the key properties of 4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide?
4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide has a molecular weight of 378.44 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide is sourced from PubChem (CID 119062377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).