2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one

C18H22N6O2 — CID 70754302

IUPAC2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)CC1=O
InChIInChI=1S/C18H22N6O2/c1-22-12-18(11-17(22)26)6-8-23(9-7-18)16(25)10-14-2-4-15(5-3-14)24-13-19-20-21-24/h2-5,13H,6-12H2,1H3
InChIKeyMEKWEVKGXGKGJV-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.68
Rot. Bonds3

About 2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one

2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70754302) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70754302
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)CC1=O
InChIInChI=1S/C18H22N6O2/c1-22-12-18(11-17(22)26)6-8-23(9-7-18)16(25)10-14-2-4-15(5-3-14)24-13-19-20-21-24/h2-5,13H,6-12H2,1H3
InChIKeyMEKWEVKGXGKGJV-UHFFFAOYSA-N
XLogP0.68
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70754302) is 2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)CC1=O.
What is the InChIKey of 2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is MEKWEVKGXGKGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-22-12-18(11-17(22)26)6-8-23(9-7-18)16(25)10-14-2-4-15(5-3-14)24-13-19-20-21-24/h2-5,13H,6-12H2,1H3.
What are the key properties of 2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one?
2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 354.41 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70754302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).