4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide

C18H24N4O3 — CID 110812997

IUPAC4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)Cc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C18H24N4O3/c1-12(2)19-18(25)22-7-5-21(6-8-22)17(24)10-13-3-4-15-14(9-13)11-16(23)20-15/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,19,25)(H,20,23)
InChIKeyDXOGIWSWGTUVOK-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.99
Rot. Bonds3

About 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide

4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 110812997) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID110812997
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)Cc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C18H24N4O3/c1-12(2)19-18(25)22-7-5-21(6-8-22)17(24)10-13-3-4-15-14(9-13)11-16(23)20-15/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,19,25)(H,20,23)
InChIKeyDXOGIWSWGTUVOK-UHFFFAOYSA-N
XLogP0.99
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110806965
5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
CID 82301093
5-[2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110807421
4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde
CID 110768084
4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812118
6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
CID 110801831
6-[2-oxo-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 167776309
2-(2-oxo-1,3-dihydroindol-5-yl)-N-(1-phenylethyl)acetamide
CID 110768091
4-[2-(4-chlorophenyl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811573
N'-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116846191
N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
CID 110813014
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide (CID 110812997) is 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(C(=O)Cc2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is DXOGIWSWGTUVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)19-18(25)22-7-5-21(6-8-22)17(24)10-13-3-4-15-14(9-13)11-16(23)20-15/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,19,25)(H,20,23).
What are the key properties of 4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 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]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 110812997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).