2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one

C23H28N2O3 — CID 160587404

IUPAC2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESCC1(c2cccc(C34CCN(C(=O)C5CC6(COC(=O)N6)C5)CC3C4)c2)CC1
InChIInChI=1S/C23H28N2O3/c1-21(5-6-21)16-3-2-4-17(9-16)23-7-8-25(13-18(23)12-23)19(26)15-10-22(11-15)14-28-20(27)24-22/h2-4,9,15,18H,5-8,10-14H2,1H3,(H,24,27)
InChIKeyRCONYWFGXWHFGE-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.12
Rot. Bonds3

About 2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one

2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one (PubChem CID 160587404) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
PubChem CID160587404
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESCC1(c2cccc(C34CCN(C(=O)C5CC6(COC(=O)N6)C5)CC3C4)c2)CC1
InChIInChI=1S/C23H28N2O3/c1-21(5-6-21)16-3-2-4-17(9-16)23-7-8-25(13-18(23)12-23)19(26)15-10-22(11-15)14-28-20(27)24-22/h2-4,9,15,18H,5-8,10-14H2,1H3,(H,24,27)
InChIKeyRCONYWFGXWHFGE-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one 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

US11708359, Example 69
CID 156825672
US11708359, Example 74
CID 156825685
US11708359, Example 62
CID 156825728
2-[1-(4-Cyclopropyl-2-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156825758
US11512059, Example 4
CID 156864696
Monoacylglycerol lipase inhibitor 1
CID 157373511
US11708359, Example 67
CID 159089713
2-[6-(3-Tert-butylphenyl)-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 159223062
US11512059, Example 31
CID 159387166
2-[(1R,5S)-6-(3-tert-butyl-5-deuteriophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 160964371
US11512059, Example 14
CID 166594650
US11512059, Example 40
CID 166594661

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The IUPAC name of 2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one (CID 160587404) is 2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one is CC1(c2cccc(C34CCN(C(=O)C5CC6(COC(=O)N6)C5)CC3C4)c2)CC1.
What is the InChIKey of 2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
The InChIKey is RCONYWFGXWHFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-21(5-6-21)16-3-2-4-17(9-16)23-7-8-25(13-18(23)12-23)19(26)15-10-22(11-15)14-28-20(27)24-22/h2-4,9,15,18H,5-8,10-14H2,1H3,(H,24,27).
What are the key properties of 2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one?
2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one has a molecular weight of 380.49 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 160587404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).