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

C26H33N7O2 — CID 51360844

IUPAC8-[(1-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCCCn1nnnc1C(c1ccc(OC)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C26H33N7O2/c1-3-4-16-33-24(28-29-30-33)23(20-10-12-22(35-2)13-11-20)31-17-14-26(15-18-31)25(34)27-19-32(26)21-8-6-5-7-9-21/h5-13,23H,3-4,14-19H2,1-2H3,(H,27,34)
InChIKeyTVZNKZDVSVYEAT-UHFFFAOYSA-N
MW475.60 g/mol
LogP3.00
Rot. Bonds8

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

8-[(1-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 51360844) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 8-[(1-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(1-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID51360844
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name8-[(1-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCCCn1nnnc1C(c1ccc(OC)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C26H33N7O2/c1-3-4-16-33-24(28-29-30-33)23(20-10-12-22(35-2)13-11-20)31-17-14-26(15-18-31)25(34)27-19-32(26)21-8-6-5-7-9-21/h5-13,23H,3-4,14-19H2,1-2H3,(H,27,34)
InChIKeyTVZNKZDVSVYEAT-UHFFFAOYSA-N
XLogP3.00
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyl-5-tetrazolyl)-4-piperidinyl]propanamide
CID 652603
7-Methoxy-3-[(4-methyl-piperidin-1-yl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-1H-quinolin-2-one
CID 652787
1-{(4-Methoxy-phenyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 653553
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-4-phenyl-piperazine
CID 654297
7-Methoxy-3-[(3-methyl-piperidin-1-yl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-1H-quinolin-2-one
CID 655984
7-Methoxy-3-[[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-(4-methyl-piperidin-1-yl)-methyl]-1H-quinolin-2-one
CID 3183326
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-phenyl-piperazine
CID 3208764
2-Acetylamino-3-(3-methoxy-phenyl)-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-propionamide
CID 3232426
8-[1-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360778
1-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-ylmethyl]-piperidin-4-yl}-3-(3-methoxy-phenyl)-urea
CID 645133
3-[(4-cyclohexylpiperazin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 645340

Frequently Asked Questions

What is the IUPAC name of 8-[(1-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(1-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 51360844) is 8-[(1-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(1-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(1-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CCCCn1nnnc1C(c1ccc(OC)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 8-[(1-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is TVZNKZDVSVYEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-3-4-16-33-24(28-29-30-33)23(20-10-12-22(35-2)13-11-20)31-17-14-26(15-18-31)25(34)27-19-32(26)21-8-6-5-7-9-21/h5-13,23H,3-4,14-19H2,1-2H3,(H,27,34).
What are the key properties of 8-[(1-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(1-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 475.60 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 51360844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).