1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid

C14H15N3O4 — CID 102711591

IUPAC1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid
SMILESO=C1Cc2cc(C(=O)N3CCNCC3C(=O)O)ccc2N1
InChIInChI=1S/C14H15N3O4/c18-12-6-9-5-8(1-2-10(9)16-12)13(19)17-4-3-15-7-11(17)14(20)21/h1-2,5,11,15H,3-4,6-7H2,(H,16,18)(H,20,21)
InChIKeyCJVYAUVJHMXKHQ-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.32
Rot. Bonds2

About 1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid

1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid (PubChem CID 102711591) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid
PubChem CID102711591
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid
SMILESO=C1Cc2cc(C(=O)N3CCNCC3C(=O)O)ccc2N1
InChIInChI=1S/C14H15N3O4/c18-12-6-9-5-8(1-2-10(9)16-12)13(19)17-4-3-15-7-11(17)14(20)21/h1-2,5,11,15H,3-4,6-7H2,(H,16,18)(H,20,21)
InChIKeyCJVYAUVJHMXKHQ-UHFFFAOYSA-N
XLogP-0.32
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 96669399
3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775453
1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile
CID 102711618
2-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidin-2-yl]acetic acid
CID 102710678
(3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid
CID 125133531
3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712524
5-(oxazinane-2-carbonyl)-1,3-dihydroindol-2-one
CID 102711392
4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 113225087
5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110800434
2-oxo-N-piperidin-3-yl-1,3-dihydroindole-5-carboxamide
CID 102711516
4-hydroxy-1-(2-oxo-1,3-dihydroindole-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 102710605

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid?
The IUPAC name of 1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid (CID 102711591) is 1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid?
The canonical SMILES for 1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid is O=C1Cc2cc(C(=O)N3CCNCC3C(=O)O)ccc2N1.
What is the InChIKey of 1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid?
The InChIKey is CJVYAUVJHMXKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-12-6-9-5-8(1-2-10(9)16-12)13(19)17-4-3-15-7-11(17)14(20)21/h1-2,5,11,15H,3-4,6-7H2,(H,16,18)(H,20,21).
What are the key properties of 1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid?
1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 102711591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).