(2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C23H27N3O2 — CID 7994047

IUPAC(2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCCc2ccccc21)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c1-18(22(27)26-13-7-11-19-8-5-6-12-21(19)26)24-14-16-25(17-15-24)23(28)20-9-3-2-4-10-20/h2-6,8-10,12,18H,7,11,13-17H2,1H3/t18-/m0/s1
InChIKeyPAIMRRGAIHKQKM-SFHVURJKSA-N
MW377.49 g/mol
LogP2.81
Rot. Bonds3

About (2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

(2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 7994047) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID7994047
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCCc2ccccc21)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c1-18(22(27)26-13-7-11-19-8-5-6-12-21(19)26)24-14-16-25(17-15-24)23(28)20-9-3-2-4-10-20/h2-6,8-10,12,18H,7,11,13-17H2,1H3/t18-/m0/s1
InChIKeyPAIMRRGAIHKQKM-SFHVURJKSA-N
XLogP2.81
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7994046
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
2-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-2-phenylacetonitrile
CID 112799371
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 51168048
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9357311
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 51271595
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 2442399
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 4883425
(3S,4S)-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120959
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 7994047) is (2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is C[C@@H](C(=O)N1CCCc2ccccc21)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is PAIMRRGAIHKQKM-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-18(22(27)26-13-7-11-19-8-5-6-12-21(19)26)24-14-16-25(17-15-24)23(28)20-9-3-2-4-10-20/h2-6,8-10,12,18H,7,11,13-17H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
(2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 377.49 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 7994047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).