4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide

C17H22ClN3O3 — CID 110605973

IUPAC4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide
SMILESCN1CCN(C(=O)CNC(=O)CCC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H22ClN3O3/c1-20-8-10-21(11-9-20)17(24)12-19-16(23)7-6-15(22)13-4-2-3-5-14(13)18/h2-5H,6-12H2,1H3,(H,19,23)
InChIKeyZVSYDGZMGFPWFX-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.19
Rot. Bonds6

About 4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide

4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide (PubChem CID 110605973) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide
PubChem CID110605973
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide
SMILESCN1CCN(C(=O)CNC(=O)CCC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H22ClN3O3/c1-20-8-10-21(11-9-20)17(24)12-19-16(23)7-6-15(22)13-4-2-3-5-14(13)18/h2-5H,6-12H2,1H3,(H,19,23)
InChIKeyZVSYDGZMGFPWFX-UHFFFAOYSA-N
XLogP1.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide
CID 110615202
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81376901
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide
CID 110407023
4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide
CID 110620731
2-(2-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712323
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017345
1-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 110414748
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110606137
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 127518835
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110626396

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide (CID 110605973) is 4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide is CN1CCN(C(=O)CNC(=O)CCC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide?
The InChIKey is ZVSYDGZMGFPWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-20-8-10-21(11-9-20)17(24)12-19-16(23)7-6-15(22)13-4-2-3-5-14(13)18/h2-5H,6-12H2,1H3,(H,19,23).
What are the key properties of 4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide?
4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide has a molecular weight of 351.83 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide is sourced from PubChem (CID 110605973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).