1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone

C22H31N5O2 — CID 146071677

IUPAC1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone
SMILESCC(C)N1CCC2(CC1)CN(C(=O)COc1ccccc1)CC2c1nncn1C
InChIInChI=1S/C22H31N5O2/c1-17(2)26-11-9-22(10-12-26)15-27(13-19(22)21-24-23-16-25(21)3)20(28)14-29-18-7-5-4-6-8-18/h4-8,16-17,19H,9-15H2,1-3H3
InChIKeyFEHSYGIUCHUXJQ-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.31
Rot. Bonds5

About 1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone

1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone (PubChem CID 146071677) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone
PubChem CID146071677
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone
SMILESCC(C)N1CCC2(CC1)CN(C(=O)COc1ccccc1)CC2c1nncn1C
InChIInChI=1S/C22H31N5O2/c1-17(2)26-11-9-22(10-12-26)15-27(13-19(22)21-24-23-16-25(21)3)20(28)14-29-18-7-5-4-6-8-18/h4-8,16-17,19H,9-15H2,1-3H3
InChIKeyFEHSYGIUCHUXJQ-UHFFFAOYSA-N
XLogP2.31
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenoxy)-1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 146067712
2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone
CID 155882152
2-(2,5-dimethylphenoxy)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone
CID 155882653
8-ethylsulfonyl-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 146069080
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
(2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 124999111
4-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 94021811
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72896818
1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone
CID 146071715
2-(2-phenoxyacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118741041
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-(3-methylbutyl)piperazin-1-yl]-2-phenoxyethanone
CID 47043100

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone (CID 146071677) is 1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone is CC(C)N1CCC2(CC1)CN(C(=O)COc1ccccc1)CC2c1nncn1C.
What is the InChIKey of 1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone?
The InChIKey is FEHSYGIUCHUXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-17(2)26-11-9-22(10-12-26)15-27(13-19(22)21-24-23-16-25(21)3)20(28)14-29-18-7-5-4-6-8-18/h4-8,16-17,19H,9-15H2,1-3H3.
What are the key properties of 1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone?
1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone has a molecular weight of 397.52 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone is sourced from PubChem (CID 146071677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).