4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one

C15H16N4O3 — CID 125433756

IUPAC4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one
SMILESO=C1C=C(Nc2ccc(C(=O)N3CCNC(=O)C3)cc2)CN1
InChIInChI=1S/C15H16N4O3/c20-13-7-12(8-17-13)18-11-3-1-10(2-4-11)15(22)19-6-5-16-14(21)9-19/h1-4,7,18H,5-6,8-9H2,(H,16,21)(H,17,20)
InChIKeyHGUQHUNWKLNYHI-UHFFFAOYSA-N
MW300.32 g/mol
LogP-0.32
Rot. Bonds3

About 4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one

4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one (PubChem CID 125433756) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one
PubChem CID125433756
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one
SMILESO=C1C=C(Nc2ccc(C(=O)N3CCNC(=O)C3)cc2)CN1
InChIInChI=1S/C15H16N4O3/c20-13-7-12(8-17-13)18-11-3-1-10(2-4-11)15(22)19-6-5-16-14(21)9-19/h1-4,7,18H,5-6,8-9H2,(H,16,21)(H,17,20)
InChIKeyHGUQHUNWKLNYHI-UHFFFAOYSA-N
XLogP-0.32
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydrazinylbenzoyl)piperazin-2-one
CID 62241624
N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 35795642
4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107021530
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
[4-(3-oxo-1,4-diazepane-1-carbonyl)phenyl]urea
CID 62896644
4-(3-oxopiperazine-1-carbonyl)benzonitrile
CID 24699494
4-(4-methylsulfonylbenzoyl)piperazin-2-one
CID 31095751
4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one
CID 62734574
(2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 119283789
4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one
CID 166218709
4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one
CID 47111544
(2S)-2-amino-3-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]butanamide
CID 119283797

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one?
The IUPAC name of 4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one (CID 125433756) is 4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one.
What is the SMILES notation for 4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one?
The canonical SMILES for 4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one is O=C1C=C(Nc2ccc(C(=O)N3CCNC(=O)C3)cc2)CN1.
What is the InChIKey of 4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one?
The InChIKey is HGUQHUNWKLNYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-13-7-12(8-17-13)18-11-3-1-10(2-4-11)15(22)19-6-5-16-14(21)9-19/h1-4,7,18H,5-6,8-9H2,(H,16,21)(H,17,20).
What are the key properties of 4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one?
4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one has a molecular weight of 300.32 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one is sourced from PubChem (CID 125433756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).