N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide

C19H24ClN3O4 — CID 110427133

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)CCC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H24ClN3O4/c1-14(24)22-9-11-23(12-10-22)19(27)7-8-21-18(26)6-5-17(25)15-3-2-4-16(20)13-15/h2-4,13H,5-12H2,1H3,(H,21,26)
InChIKeyKHNJCCGURNWILF-UHFFFAOYSA-N
MW393.87 g/mol
LogP1.50
Rot. Bonds7

About N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide (PubChem CID 110427133) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide
PubChem CID110427133
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)CCC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H24ClN3O4/c1-14(24)22-9-11-23(12-10-22)19(27)7-8-21-18(26)6-5-17(25)15-3-2-4-16(20)13-15/h2-4,13H,5-12H2,1H3,(H,21,26)
InChIKeyKHNJCCGURNWILF-UHFFFAOYSA-N
XLogP1.50
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide with MolForge

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Related Compounds

tert-butyl 4-[4-(3-chlorophenyl)-4-oxobutanoyl]piperazine-1-carboxylate
CID 110605703
4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
CID 110306289
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110626396
3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 24737765
4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110411382
4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide
CID 9181207
4-(3,4-dimethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
CID 110626293
3-chloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108539491
4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide
CID 110427003
[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 9208338
4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
CID 110676338
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119703804

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide (CID 110427133) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide is CC(=O)N1CCN(C(=O)CCNC(=O)CCC(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide?
The InChIKey is KHNJCCGURNWILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-14(24)22-9-11-23(12-10-22)19(27)7-8-21-18(26)6-5-17(25)15-3-2-4-16(20)13-15/h2-4,13H,5-12H2,1H3,(H,21,26).
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide has a molecular weight of 393.87 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 110427133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).