[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone

C19H22N6O2 — CID 70764465

IUPAC[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc3nnnn3c2)CC1(C)C
InChIInChI=1S/C19H22N6O2/c1-19(2)13-23(10-11-24(19)15-6-4-5-7-16(15)27-3)18(26)14-8-9-17-20-21-22-25(17)12-14/h4-9,12H,10-11,13H2,1-3H3
InChIKeyHJJCFXXDAPJTEA-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.87
Rot. Bonds3

About [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone

[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone (PubChem CID 70764465) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
PubChem CID70764465
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc3nnnn3c2)CC1(C)C
InChIInChI=1S/C19H22N6O2/c1-19(2)13-23(10-11-24(19)15-6-4-5-7-16(15)27-3)18(26)14-8-9-17-20-21-22-25(17)12-14/h4-9,12H,10-11,13H2,1-3H3
InChIKeyHJJCFXXDAPJTEA-UHFFFAOYSA-N
XLogP1.87
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2-methoxyphenoxy)piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70732957
[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 70709938
(2-ethyl-2-methylmorpholin-4-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 139005716
5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70788614
1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 70720201
6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70743886
[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70732499
[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 95715309
(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70711621
[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 163305437
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
CID 91954902
(2-tert-butylmorpholin-4-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 139005848

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone (CID 70764465) is [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone is COc1ccccc1N1CCN(C(=O)c2ccc3nnnn3c2)CC1(C)C.
What is the InChIKey of [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
The InChIKey is HJJCFXXDAPJTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-19(2)13-23(10-11-24(19)15-6-4-5-7-16(15)27-3)18(26)14-8-9-17-20-21-22-25(17)12-14/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone has a molecular weight of 366.43 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone is sourced from PubChem (CID 70764465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).