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

C19H24N2O4 — CID 134788711

IUPAC4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid
SMILESCC(=O)N1CC2(CCCN(C(=O)CCC(=O)O)C2)Cc2ccccc21
InChIInChI=1S/C19H24N2O4/c1-14(22)21-13-19(11-15-5-2-3-6-16(15)21)9-4-10-20(12-19)17(23)7-8-18(24)25/h2-3,5-6H,4,7-13H2,1H3,(H,24,25)
InChIKeySXUUSXGOEHZRKX-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.07
Rot. Bonds3

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

4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid (PubChem CID 134788711) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid
PubChem CID134788711
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid
SMILESCC(=O)N1CC2(CCCN(C(=O)CCC(=O)O)C2)Cc2ccccc21
InChIInChI=1S/C19H24N2O4/c1-14(22)21-13-19(11-15-5-2-3-6-16(15)21)9-4-10-20(12-19)17(23)7-8-18(24)25/h2-3,5-6H,4,7-13H2,1H3,(H,24,25)
InChIKeySXUUSXGOEHZRKX-UHFFFAOYSA-N
XLogP2.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid
CID 134790704
4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid
CID 134791170
methyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate
CID 134793217
3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one
CID 86794751
1-[1'-(cyclopropanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-azetidine]-1-yl]ethanone
CID 134795489
4-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-4-oxobutanoic acid
CID 134790474
1-[1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone
CID 134788666
1-(2-acetyl-2,9-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-9-yl)-3-phenylpropan-1-one
CID 133066062
cyclopentyl-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone
CID 134788894
[1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone
CID 134788181
N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide
CID 134787321
(4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone
CID 134787655

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid (CID 134788711) is 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid is CC(=O)N1CC2(CCCN(C(=O)CCC(=O)O)C2)Cc2ccccc21.
What is the InChIKey of 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid?
The InChIKey is SXUUSXGOEHZRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-14(22)21-13-19(11-15-5-2-3-6-16(15)21)9-4-10-20(12-19)17(23)7-8-18(24)25/h2-3,5-6H,4,7-13H2,1H3,(H,24,25).
What are the key properties of 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid?
4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid has a molecular weight of 344.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid is sourced from PubChem (CID 134788711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).