8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C24H29N7O2 — CID 51360800

IUPAC8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCC(c1nnnn1-c1ccc(OC)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C24H29N7O2/c1-3-21(22-26-27-28-31(22)19-9-11-20(33-2)12-10-19)29-15-13-24(14-16-29)23(32)25-17-30(24)18-7-5-4-6-8-18/h4-12,21H,3,13-17H2,1-2H3,(H,25,32)
InChIKeyNTVFAWKMTKCBAH-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.55
Rot. Bonds6

About 8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 51360800) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID51360800
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCC(c1nnnn1-c1ccc(OC)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C24H29N7O2/c1-3-21(22-26-27-28-31(22)19-9-11-20(33-2)12-10-19)29-15-13-24(14-16-29)23(32)25-17-30(24)18-7-5-4-6-8-18/h4-12,21H,3,13-17H2,1-2H3,(H,25,32)
InChIKeyNTVFAWKMTKCBAH-UHFFFAOYSA-N
XLogP2.55
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 51360800) is 8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CCC(c1nnnn1-c1ccc(OC)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is NTVFAWKMTKCBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-3-21(22-26-27-28-31(22)19-9-11-20(33-2)12-10-19)29-15-13-24(14-16-29)23(32)25-17-30(24)18-7-5-4-6-8-18/h4-12,21H,3,13-17H2,1-2H3,(H,25,32).
What are the key properties of 8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 447.54 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 51360800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).