[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate

C24H26N2O4 — CID 41472626

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate
SMILESO=C(OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C24H26N2O4/c27-22(16-30-24(29)20-10-9-17-5-4-6-19(17)15-20)26-13-11-18(12-14-26)23(28)25-21-7-2-1-3-8-21/h1-3,7-10,15,18H,4-6,11-14,16H2,(H,25,28)
InChIKeyYVCZBTQVMNHUHS-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.21
Rot. Bonds5

About [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 41472626) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate
PubChem CID41472626
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate
SMILESO=C(OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C24H26N2O4/c27-22(16-30-24(29)20-10-9-17-5-4-6-19(17)15-20)26-13-11-18(12-14-26)23(28)25-21-7-2-1-3-8-21/h1-3,7-10,15,18H,4-6,11-14,16H2,(H,25,28)
InChIKeyYVCZBTQVMNHUHS-UHFFFAOYSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010275
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 31803292
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55994294
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706321
[2-(azocan-1-yl)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 35236311
1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808623
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate
CID 55467847
N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
CID 51214187
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010395
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010543
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 55392624
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate (CID 41472626) is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate is O=C(OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)CCC2.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is YVCZBTQVMNHUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c27-22(16-30-24(29)20-10-9-17-5-4-6-19(17)15-20)26-13-11-18(12-14-26)23(28)25-21-7-2-1-3-8-21/h1-3,7-10,15,18H,4-6,11-14,16H2,(H,25,28).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate?
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 406.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 41472626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).