4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one

C24H34ClN3O2 — CID 24830112

IUPAC4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCC3(CC2)CN(C(C)C)C3c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C24H34ClN3O2/c1-16(2)27-14-19(13-21(27)29)23(30)26-11-9-24(10-12-26)15-28(17(3)4)22(24)18-5-7-20(25)8-6-18/h5-8,16-17,19,22H,9-15H2,1-4H3
InChIKeyZHWAPYWJMBNCDG-UHFFFAOYSA-N
MW432.01 g/mol
LogP3.97
Rot. Bonds4

About 4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one

4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 24830112) has the molecular formula C24H34ClN3O2 and a molecular weight of 432.01 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID24830112
Molecular FormulaC24H34ClN3O2
Molecular Weight432.01 g/mol
Exact Mass431.23
IUPAC Name4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCC3(CC2)CN(C(C)C)C3c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C24H34ClN3O2/c1-16(2)27-14-19(13-21(27)29)23(30)26-11-9-24(10-12-26)15-28(17(3)4)22(24)18-5-7-20(25)8-6-18/h5-8,16-17,19,22H,9-15H2,1-4H3
InChIKeyZHWAPYWJMBNCDG-UHFFFAOYSA-N
XLogP3.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.01
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one (CID 24830112) is 4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(C(=O)N2CCC3(CC2)CN(C(C)C)C3c2ccc(Cl)cc2)CC1=O.
What is the InChIKey of 4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is ZHWAPYWJMBNCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN3O2/c1-16(2)27-14-19(13-21(27)29)23(30)26-11-9-24(10-12-26)15-28(17(3)4)22(24)18-5-7-20(25)8-6-18/h5-8,16-17,19,22H,9-15H2,1-4H3.
What are the key properties of 4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 432.01 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 24830112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).