4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde

C15H17N3O3 — CID 110768084

IUPAC4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)Cc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C15H17N3O3/c19-10-17-3-5-18(6-4-17)15(21)8-11-1-2-13-12(7-11)9-14(20)16-13/h1-2,7,10H,3-6,8-9H2,(H,16,20)
InChIKeyNSSPVVOCRPRIGZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.02
Rot. Bonds3

About 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde

4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde (PubChem CID 110768084) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde
PubChem CID110768084
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)Cc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C15H17N3O3/c19-10-17-3-5-18(6-4-17)15(21)8-11-1-2-13-12(7-11)9-14(20)16-13/h1-2,7,10H,3-6,8-9H2,(H,16,20)
InChIKeyNSSPVVOCRPRIGZ-UHFFFAOYSA-N
XLogP0.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
CID 82301093
5-[2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110806965
4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812997
5-[2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110807421
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915
4-[2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetyl]piperazine-1-carbaldehyde
CID 110771595
4-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]piperazine-1-carbaldehyde
CID 110770518
N'-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116846191
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
CID 110801831
2-(2-oxo-1,3-dihydroindol-5-yl)-N-prop-2-enylacetamide
CID 110768065
N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116844796

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde (CID 110768084) is 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)Cc2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde?
The InChIKey is NSSPVVOCRPRIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-10-17-3-5-18(6-4-17)15(21)8-11-1-2-13-12(7-11)9-14(20)16-13/h1-2,7,10H,3-6,8-9H2,(H,16,20).
What are the key properties of 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde?
4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde has a molecular weight of 287.32 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 110768084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).