[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone

C18H23N5O2 — CID 139001408

IUPAC[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C)C3(CCC3)C2)cc1-n1cnnn1
InChIInChI=1S/C18H23N5O2/c1-13-6-9-22(11-18(13)7-3-8-18)17(24)14-4-5-16(25-2)15(10-14)23-12-19-20-21-23/h4-5,10,12-13H,3,6-9,11H2,1-2H3
InChIKeyBMCRRYUSWJDZAT-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.32
Rot. Bonds3

About [4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone

[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone (PubChem CID 139001408) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone.

Molecular Properties

Compound Name[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone
PubChem CID139001408
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C)C3(CCC3)C2)cc1-n1cnnn1
InChIInChI=1S/C18H23N5O2/c1-13-6-9-22(11-18(13)7-3-8-18)17(24)14-4-5-16(25-2)15(10-14)23-12-19-20-21-23/h4-5,10,12-13H,3,6-9,11H2,1-2H3
InChIKeyBMCRRYUSWJDZAT-UHFFFAOYSA-N
XLogP2.32
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 139007189
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 139001308
1-[4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-1,4-diazaspiro[5.5]undecan-1-yl]ethanone
CID 139001313
(3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 75501375
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 75501443
3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid
CID 120536453
[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 97348966
(6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid
CID 120536006
N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide
CID 75519257
N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
CID 75476338
1-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120515028
[2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 126804442

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone?
The IUPAC name of [4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone (CID 139001408) is [4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone.
What is the SMILES notation for [4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone?
The canonical SMILES for [4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone is COc1ccc(C(=O)N2CCC(C)C3(CCC3)C2)cc1-n1cnnn1.
What is the InChIKey of [4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone?
The InChIKey is BMCRRYUSWJDZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-6-9-22(11-18(13)7-3-8-18)17(24)14-4-5-16(25-2)15(10-14)23-12-19-20-21-23/h4-5,10,12-13H,3,6-9,11H2,1-2H3.
What are the key properties of [4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone?
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone has a molecular weight of 341.42 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone is sourced from PubChem (CID 139001408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).