2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone

C24H33N3O2 — CID 131678932

IUPAC2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(C2(C(=O)N3CCCC4(CCN4CC(=O)N4CCCC4)C3)CC2)cc1
InChIInChI=1S/C24H33N3O2/c1-19-5-7-20(8-6-19)24(10-11-24)22(29)26-15-4-9-23(18-26)12-16-27(23)17-21(28)25-13-2-3-14-25/h5-8H,2-4,9-18H2,1H3
InChIKeyOYKKWGIWJKHDOE-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.72
Rot. Bonds4

About 2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone

2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 131678932) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID131678932
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(C2(C(=O)N3CCCC4(CCN4CC(=O)N4CCCC4)C3)CC2)cc1
InChIInChI=1S/C24H33N3O2/c1-19-5-7-20(8-6-19)24(10-11-24)22(29)26-15-4-9-23(18-26)12-16-27(23)17-21(28)25-13-2-3-14-25/h5-8H,2-4,9-18H2,1H3
InChIKeyOYKKWGIWJKHDOE-UHFFFAOYSA-N
XLogP2.72
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone (CID 131678932) is 2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone is Cc1ccc(C2(C(=O)N3CCCC4(CCN4CC(=O)N4CCCC4)C3)CC2)cc1.
What is the InChIKey of 2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is OYKKWGIWJKHDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-19-5-7-20(8-6-19)24(10-11-24)22(29)26-15-4-9-23(18-26)12-16-27(23)17-21(28)25-13-2-3-14-25/h5-8H,2-4,9-18H2,1H3.
What are the key properties of 2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone?
2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 395.55 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 131678932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).