2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C23H27N3O2 — CID 1443725

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C23H27N3O2/c1-18(27)19-8-10-21(11-9-19)25-15-13-24(14-16-25)17-23(28)26-12-4-6-20-5-2-3-7-22(20)26/h2-3,5,7-11H,4,6,12-17H2,1H3
InChIKeyNVJXGHANXHKCFJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.99
Rot. Bonds4

About 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 1443725) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID1443725
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C23H27N3O2/c1-18(27)19-8-10-21(11-9-19)25-15-13-24(14-16-25)17-23(28)26-12-4-6-20-5-2-3-7-22(20)26/h2-3,5,7-11H,4,6,12-17H2,1H3
InChIKeyNVJXGHANXHKCFJ-UHFFFAOYSA-N
XLogP2.99
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 8703661
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-hydroxypentyl)piperazin-1-yl]ethanone
CID 111496396
1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]prop-2-en-1-one
CID 166406128
N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide
CID 75462883
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113177148
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-piperidin-1-ylanilino)ethanone
CID 109007340
1-[4-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 74813973
methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95637304

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 1443725) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is CC(=O)c1ccc(N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is NVJXGHANXHKCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-18(27)19-8-10-21(11-9-19)25-15-13-24(14-16-25)17-23(28)26-12-4-6-20-5-2-3-7-22(20)26/h2-3,5,7-11H,4,6,12-17H2,1H3.
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 377.49 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 1443725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).