1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone

C24H32N4O2 — CID 146071715

IUPAC1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CC(c2nncn2CC2CC2)C2(CCCCC2)C1
InChIInChI=1S/C24H32N4O2/c29-22(16-30-15-20-7-3-1-4-8-20)27-14-21(24(17-27)11-5-2-6-12-24)23-26-25-18-28(23)13-19-9-10-19/h1,3-4,7-8,18-19,21H,2,5-6,9-17H2
InChIKeyFADUSAJMBPYYOQ-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.78
Rot. Bonds7

About 1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone

1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone (PubChem CID 146071715) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone
PubChem CID146071715
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CC(c2nncn2CC2CC2)C2(CCCCC2)C1
InChIInChI=1S/C24H32N4O2/c29-22(16-30-15-20-7-3-1-4-8-20)27-14-21(24(17-27)11-5-2-6-12-24)23-26-25-18-28(23)13-19-9-10-19/h1,3-4,7-8,18-19,21H,2,5-6,9-17H2
InChIKeyFADUSAJMBPYYOQ-UHFFFAOYSA-N
XLogP3.78
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone (CID 146071715) is 1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CC(c2nncn2CC2CC2)C2(CCCCC2)C1.
What is the InChIKey of 1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone?
The InChIKey is FADUSAJMBPYYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c29-22(16-30-15-20-7-3-1-4-8-20)27-14-21(24(17-27)11-5-2-6-12-24)23-26-25-18-28(23)13-19-9-10-19/h1,3-4,7-8,18-19,21H,2,5-6,9-17H2.
What are the key properties of 1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone?
1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone has a molecular weight of 408.55 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 146071715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).