1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one

C23H34N4O2 — CID 51271595

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCc2ccccc21)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C23H34N4O2/c1-19(23(29)27-13-7-9-20-8-3-4-10-21(20)27)25-16-14-24(15-17-25)18-22(28)26-11-5-2-6-12-26/h3-4,8,10,19H,2,5-7,9,11-18H2,1H3
InChIKeyILMBJQBMJOFIEI-UHFFFAOYSA-N
MW398.55 g/mol
LogP1.98
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one (PubChem CID 51271595) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
PubChem CID51271595
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCc2ccccc21)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C23H34N4O2/c1-19(23(29)27-13-7-9-20-8-3-4-10-21(20)27)25-16-14-24(15-17-25)18-22(28)26-11-5-2-6-12-26/h3-4,8,10,19H,2,5-7,9,11-18H2,1H3
InChIKeyILMBJQBMJOFIEI-UHFFFAOYSA-N
XLogP1.98
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9207032
2-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 86923494
methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95637304
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
(2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7994047
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
CID 1439229
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]pentan-1-one
CID 120565523
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one (CID 51271595) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one is CC(C(=O)N1CCCc2ccccc21)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one?
The InChIKey is ILMBJQBMJOFIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-19(23(29)27-13-7-9-20-8-3-4-10-21(20)27)25-16-14-24(15-17-25)18-22(28)26-11-5-2-6-12-26/h3-4,8,10,19H,2,5-7,9,11-18H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one has a molecular weight of 398.55 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 51271595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).