1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C17H22N4O3 — CID 50882349

IUPAC1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccccc2N2CC(C(N)=O)CC2=O)CC1
InChIInChI=1S/C17H22N4O3/c1-12(22)19-6-8-20(9-7-19)14-4-2-3-5-15(14)21-11-13(17(18)24)10-16(21)23/h2-5,13H,6-11H2,1H3,(H2,18,24)
InChIKeyRTDDQGOSRVYFCP-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.19
Rot. Bonds3

About 1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 50882349) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID50882349
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccccc2N2CC(C(N)=O)CC2=O)CC1
InChIInChI=1S/C17H22N4O3/c1-12(22)19-6-8-20(9-7-19)14-4-2-3-5-15(14)21-11-13(17(18)24)10-16(21)23/h2-5,13H,6-11H2,1H3,(H2,18,24)
InChIKeyRTDDQGOSRVYFCP-UHFFFAOYSA-N
XLogP0.19
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94671849
1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50879047
1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide
CID 50896096
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 50895960
1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697394
1-(2-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696654
1-(2-cyclopropylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698149
methyl 5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 50879609
ethyl (3S)-5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077638
1-[4-(4-benzoylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50879059
(3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride
CID 94077588

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 50882349) is 1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is CC(=O)N1CCN(c2ccccc2N2CC(C(N)=O)CC2=O)CC1.
What is the InChIKey of 1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RTDDQGOSRVYFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12(22)19-6-8-20(9-7-19)14-4-2-3-5-15(14)21-11-13(17(18)24)10-16(21)23/h2-5,13H,6-11H2,1H3,(H2,18,24).
What are the key properties of 1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50882349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).