1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide

C17H21ClN4O3 — CID 50896096

IUPAC1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(N3CC(C(N)=O)CC3=O)cc2Cl)CC1
InChIInChI=1S/C17H21ClN4O3/c1-11(23)20-4-6-21(7-5-20)15-3-2-13(9-14(15)18)22-10-12(17(19)25)8-16(22)24/h2-3,9,12H,4-8,10H2,1H3,(H2,19,25)
InChIKeyZKLNLFRRJNPGPZ-UHFFFAOYSA-N
MW364.83 g/mol
LogP0.85
Rot. Bonds3

About 1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide

1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 50896096) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID50896096
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(N3CC(C(N)=O)CC3=O)cc2Cl)CC1
InChIInChI=1S/C17H21ClN4O3/c1-11(23)20-4-6-21(7-5-20)15-3-2-13(9-14(15)18)22-10-12(17(19)25)8-16(22)24/h2-3,9,12H,4-8,10H2,1H3,(H2,19,25)
InChIKeyZKLNLFRRJNPGPZ-UHFFFAOYSA-N
XLogP0.85
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(3-chloro-4-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94077492
(3S)-1-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide
CID 95733164
1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50879047
1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50882349
1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696123
1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697775
methyl 1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 50896105
1-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carbonyl chloride
CID 50879679
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901
methyl 1-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxylate
CID 50879671
ethyl 1-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxylate
CID 50879670
5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 50879842

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide (CID 50896096) is 1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide is CC(=O)N1CCN(c2ccc(N3CC(C(N)=O)CC3=O)cc2Cl)CC1.
What is the InChIKey of 1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZKLNLFRRJNPGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-11(23)20-4-6-21(7-5-20)15-3-2-13(9-14(15)18)22-10-12(17(19)25)8-16(22)24/h2-3,9,12H,4-8,10H2,1H3,(H2,19,25).
What are the key properties of 1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide?
1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.83 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50896096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).