5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one

C17H19N3O3 — CID 110800434

IUPAC5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)N3CCN(C(=O)C4CC4)CC3)ccc2N1
InChIInChI=1S/C17H19N3O3/c21-15-10-13-9-12(3-4-14(13)18-15)17(23)20-7-5-19(6-8-20)16(22)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,18,21)
InChIKeyYODRLDNRABTQDB-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.88
Rot. Bonds2

About 5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one

5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one (PubChem CID 110800434) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
PubChem CID110800434
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)N3CCN(C(=O)C4CC4)CC3)ccc2N1
InChIInChI=1S/C17H19N3O3/c21-15-10-13-9-12(3-4-14(13)18-15)17(23)20-7-5-19(6-8-20)16(22)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,18,21)
InChIKeyYODRLDNRABTQDB-UHFFFAOYSA-N
XLogP0.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110807504
5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 113225087
5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455
5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103725306
4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110814055
5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one
CID 113356774
5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711671
5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103575914
5-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110810080
5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110809888
5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 166380387

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one (CID 110800434) is 5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)N3CCN(C(=O)C4CC4)CC3)ccc2N1.
What is the InChIKey of 5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
The InChIKey is YODRLDNRABTQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-15-10-13-9-12(3-4-14(13)18-15)17(23)20-7-5-19(6-8-20)16(22)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,18,21).
What are the key properties of 5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one has a molecular weight of 313.36 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 110800434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).