4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid

C23H30N2O4 — CID 134788984

IUPAC4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC2(CC1)Cc1ccccc1N(C(=O)C1CCCC1)C2
InChIInChI=1S/C23H30N2O4/c26-20(9-10-21(27)28)24-13-11-23(12-14-24)15-18-7-3-4-8-19(18)25(16-23)22(29)17-5-1-2-6-17/h3-4,7-8,17H,1-2,5-6,9-16H2,(H,27,28)
InChIKeyKCSQGONQGXPRNX-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.24
Rot. Bonds4

About 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid

4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid (PubChem CID 134788984) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid
PubChem CID134788984
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC2(CC1)Cc1ccccc1N(C(=O)C1CCCC1)C2
InChIInChI=1S/C23H30N2O4/c26-20(9-10-21(27)28)24-13-11-23(12-14-24)15-18-7-3-4-8-19(18)25(16-23)22(29)17-5-1-2-6-17/h3-4,7-8,17H,1-2,5-6,9-16H2,(H,27,28)
InChIKeyKCSQGONQGXPRNX-UHFFFAOYSA-N
XLogP3.24
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid 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 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid (CID 134788984) is 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCC2(CC1)Cc1ccccc1N(C(=O)C1CCCC1)C2.
What is the InChIKey of 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid?
The InChIKey is KCSQGONQGXPRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c26-20(9-10-21(27)28)24-13-11-23(12-14-24)15-18-7-3-4-8-19(18)25(16-23)22(29)17-5-1-2-6-17/h3-4,7-8,17H,1-2,5-6,9-16H2,(H,27,28).
What are the key properties of 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid?
4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid has a molecular weight of 398.50 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid is sourced from PubChem (CID 134788984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).