[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate

C21H28N2O4 — CID 86826616

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate
SMILESCCCC(=O)N1CCC(C(=O)OCC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C21H28N2O4/c1-2-6-19(24)22-13-10-17(11-14-22)21(26)27-15-20(25)23-12-5-8-16-7-3-4-9-18(16)23/h3-4,7,9,17H,2,5-6,8,10-15H2,1H3
InChIKeyKDRJRBIVOJFXSG-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.55
Rot. Bonds5

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate (PubChem CID 86826616) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate
PubChem CID86826616
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate
SMILESCCCC(=O)N1CCC(C(=O)OCC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C21H28N2O4/c1-2-6-19(24)22-13-10-17(11-14-22)21(26)27-15-20(25)23-12-5-8-16-7-3-4-9-18(16)23/h3-4,7,9,17H,2,5-6,8,10-15H2,1H3
InChIKeyKDRJRBIVOJFXSG-UHFFFAOYSA-N
XLogP2.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 113006316
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899074
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 1-butanoylpiperidine-3-carboxylate
CID 166192674
ethyl 1-[2-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)phenyl]acetyl]piperidine-4-carboxylate
CID 46338651
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697303
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 87023568
1-[2-(2-methoxyacetyl)-2,11-diazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-11-yl]butan-1-one
CID 110063972
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-phenylacetate
CID 55319315
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 113006333
methyl 1-[N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111251881
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 40691302

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate (CID 86826616) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate is CCCC(=O)N1CCC(C(=O)OCC(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate?
The InChIKey is KDRJRBIVOJFXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-2-6-19(24)22-13-10-17(11-14-22)21(26)27-15-20(25)23-12-5-8-16-7-3-4-9-18(16)23/h3-4,7,9,17H,2,5-6,8,10-15H2,1H3.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate is sourced from PubChem (CID 86826616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).