2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone

C25H31N3O — CID 91670562

IUPAC2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone
SMILESCC1=CC(C)(C)N(C(=O)CN2CCN(c3ccccc3)CC2)c2ccc(C)cc21
InChIInChI=1S/C25H31N3O/c1-19-10-11-23-22(16-19)20(2)17-25(3,4)28(23)24(29)18-26-12-14-27(15-13-26)21-8-6-5-7-9-21/h5-11,16-17H,12-15,18H2,1-4H3
InChIKeyRPSGSYXMCXOZOE-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.35
Rot. Bonds3

About 2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone

2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone (PubChem CID 91670562) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone
PubChem CID91670562
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone
SMILESCC1=CC(C)(C)N(C(=O)CN2CCN(c3ccccc3)CC2)c2ccc(C)cc21
InChIInChI=1S/C25H31N3O/c1-19-10-11-23-22(16-19)20(2)17-25(3,4)28(23)24(29)18-26-12-14-27(15-13-26)21-8-6-5-7-9-21/h5-11,16-17H,12-15,18H2,1-4H3
InChIKeyRPSGSYXMCXOZOE-UHFFFAOYSA-N
XLogP4.35
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone with MolForge

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Related Compounds

2-[4-(4-bromophenyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone
CID 122714307
oxalic acid;1-(2,2,4,6,7-pentamethylquinolin-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 17254561
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride
CID 132914572
2-morpholin-4-yl-1-(2,2,4-trimethyl-6-tritylquinolin-1-yl)ethanone
CID 3119223
1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 132914391
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone
CID 91670613
(3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124985214
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9348757
1-[2,2-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]quinolin-1-yl]ethanone;hydrochloride
CID 132908906
N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688693
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
2-(4-methylpiperidin-1-yl)-1-(6,6,8-trimethyl-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone
CID 118986623

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone (CID 91670562) is 2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone is CC1=CC(C)(C)N(C(=O)CN2CCN(c3ccccc3)CC2)c2ccc(C)cc21.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone?
The InChIKey is RPSGSYXMCXOZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-19-10-11-23-22(16-19)20(2)17-25(3,4)28(23)24(29)18-26-12-14-27(15-13-26)21-8-6-5-7-9-21/h5-11,16-17H,12-15,18H2,1-4H3.
What are the key properties of 2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone?
2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone has a molecular weight of 389.54 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone is sourced from PubChem (CID 91670562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).