2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone

C19H22ClN3O — CID 55437702

IUPAC2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNc2ccccc2Cl)C(c2ccccc2)C1
InChIInChI=1S/C19H22ClN3O/c1-22-11-12-23(18(14-22)15-7-3-2-4-8-15)19(24)13-21-17-10-6-5-9-16(17)20/h2-10,18,21H,11-14H2,1H3
InChIKeyOOYMGWYKENDSJL-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.27
Rot. Bonds4

About 2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone

2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone (PubChem CID 55437702) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
PubChem CID55437702
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNc2ccccc2Cl)C(c2ccccc2)C1
InChIInChI=1S/C19H22ClN3O/c1-22-11-12-23(18(14-22)15-7-3-2-4-8-15)19(24)13-21-17-10-6-5-9-16(17)20/h2-10,18,21H,11-14H2,1H3
InChIKeyOOYMGWYKENDSJL-UHFFFAOYSA-N
XLogP3.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-(2-chlorophenyl)-3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]urea
CID 98684646
N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 51925999
1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961
3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 51251955
2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone
CID 38169510
(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578734
2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51199463
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
N-[1-(4-chlorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 42931935
5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one
CID 82846107
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 94599269
N-[(2R)-4-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 124816393

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone (CID 55437702) is 2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CNc2ccccc2Cl)C(c2ccccc2)C1.
What is the InChIKey of 2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
The InChIKey is OOYMGWYKENDSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-22-11-12-23(18(14-22)15-7-3-2-4-8-15)19(24)13-21-17-10-6-5-9-16(17)20/h2-10,18,21H,11-14H2,1H3.
What are the key properties of 2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone has a molecular weight of 343.86 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 55437702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).