2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide

C22H33N5O2 — CID 167903207

IUPAC2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide
SMILESO=C(CC1CN(CC2CC3(CC3)C2)C2(CCC2)CO1)NC1CC(n2cncn2)C1
InChIInChI=1S/C22H33N5O2/c28-20(25-17-6-18(7-17)27-15-23-14-24-27)8-19-12-26(22(13-29-19)2-1-3-22)11-16-9-21(10-16)4-5-21/h14-19H,1-13H2,(H,25,28)
InChIKeyKIXCSAQICXZERW-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.30
Rot. Bonds6

About 2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide

2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide (PubChem CID 167903207) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide
PubChem CID167903207
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide
SMILESO=C(CC1CN(CC2CC3(CC3)C2)C2(CCC2)CO1)NC1CC(n2cncn2)C1
InChIInChI=1S/C22H33N5O2/c28-20(25-17-6-18(7-17)27-15-23-14-24-27)8-19-12-26(22(13-29-19)2-1-3-22)11-16-9-21(10-16)4-5-21/h14-19H,1-13H2,(H,25,28)
InChIKeyKIXCSAQICXZERW-UHFFFAOYSA-N
XLogP2.30
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide 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 2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide?
The IUPAC name of 2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide (CID 167903207) is 2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide.
What is the SMILES notation for 2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide?
The canonical SMILES for 2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide is O=C(CC1CN(CC2CC3(CC3)C2)C2(CCC2)CO1)NC1CC(n2cncn2)C1.
What is the InChIKey of 2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide?
The InChIKey is KIXCSAQICXZERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c28-20(25-17-6-18(7-17)27-15-23-14-24-27)8-19-12-26(22(13-29-19)2-1-3-22)11-16-9-21(10-16)4-5-21/h14-19H,1-13H2,(H,25,28).
What are the key properties of 2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide?
2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide has a molecular weight of 399.54 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(spiro[2.3]hexan-5-ylmethyl)-8-oxa-5-azaspiro[3.5]nonan-7-yl]-N-[3-(1,2,4-triazol-1-yl)cyclobutyl]acetamide is sourced from PubChem (CID 167903207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).