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

C19H18N4O3 — CID 110814055

IUPAC5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)N3CCN(C(=O)c4ccccn4)CC3)ccc2N1
InChIInChI=1S/C19H18N4O3/c24-17-12-14-11-13(4-5-15(14)21-17)18(25)22-7-9-23(10-8-22)19(26)16-3-1-2-6-20-16/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyWBKVJKYPCYYSJG-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.17
Rot. Bonds2

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

5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one (PubChem CID 110814055) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
PubChem CID110814055
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)N3CCN(C(=O)c4ccccn4)CC3)ccc2N1
InChIInChI=1S/C19H18N4O3/c24-17-12-14-11-13(4-5-15(14)21-17)18(25)22-7-9-23(10-8-22)19(26)16-3-1-2-6-20-16/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyWBKVJKYPCYYSJG-UHFFFAOYSA-N
XLogP1.17
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 166380387
[4-(pyridine-2-carbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 38786418
5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 113225087
5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110800434
5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 108809070
5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 108809049
4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one
CID 113356774
5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455
5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711671
5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110809888
5-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110810080

Frequently Asked Questions

What is the IUPAC name of 5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one (CID 110814055) is 5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)N3CCN(C(=O)c4ccccn4)CC3)ccc2N1.
What is the InChIKey of 5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
The InChIKey is WBKVJKYPCYYSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-17-12-14-11-13(4-5-15(14)21-17)18(25)22-7-9-23(10-8-22)19(26)16-3-1-2-6-20-16/h1-6,11H,7-10,12H2,(H,21,24).
What are the key properties of 5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one has a molecular weight of 350.38 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 110814055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).