7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone

C18H23N5O2 — CID 139007189

IUPAC7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCCC3(CCCC3)C2)cc1-n1cnnn1
InChIInChI=1S/C18H23N5O2/c1-25-16-6-5-14(11-15(16)23-13-19-20-21-23)17(24)22-10-4-9-18(12-22)7-2-3-8-18/h5-6,11,13H,2-4,7-10,12H2,1H3
InChIKeyQOCARPUUNRDJTJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.47
Rot. Bonds3

About 7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone

7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 139007189) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
PubChem CID139007189
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCCC3(CCCC3)C2)cc1-n1cnnn1
InChIInChI=1S/C18H23N5O2/c1-25-16-6-5-14(11-15(16)23-13-19-20-21-23)17(24)22-10-4-9-18(12-22)7-2-3-8-18/h5-6,11,13H,2-4,7-10,12H2,1H3
InChIKeyQOCARPUUNRDJTJ-UHFFFAOYSA-N
XLogP2.47
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of 7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone (CID 139007189) is 7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for 7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for 7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone is COc1ccc(C(=O)N2CCCC3(CCCC3)C2)cc1-n1cnnn1.
What is the InChIKey of 7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is QOCARPUUNRDJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-25-16-6-5-14(11-15(16)23-13-19-20-21-23)17(24)22-10-4-9-18(12-22)7-2-3-8-18/h5-6,11,13H,2-4,7-10,12H2,1H3.
What are the key properties of 7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 341.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 139007189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).