[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate

C24H23FN2O4 — CID 42925719

IUPAC[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESCC(OC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C24H23FN2O4/c1-15(22(28)20-13-26-21-7-3-2-6-19(20)21)31-24(30)17-5-4-12-27(14-17)23(29)16-8-10-18(25)11-9-16/h2-3,6-11,13,15,17,26H,4-5,12,14H2,1H3
InChIKeySLBUQXFHTBWQGP-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.97
Rot. Bonds5

About [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate

[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate (PubChem CID 42925719) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
PubChem CID42925719
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESCC(OC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C24H23FN2O4/c1-15(22(28)20-13-26-21-7-3-2-6-19(20)21)31-24(30)17-5-4-12-27(14-17)23(29)16-8-10-18(25)11-9-16/h2-3,6-11,13,15,17,26H,4-5,12,14H2,1H3
InChIKeySLBUQXFHTBWQGP-UHFFFAOYSA-N
XLogP3.97
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate (CID 42925719) is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate is CC(OC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The InChIKey is SLBUQXFHTBWQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-15(22(28)20-13-26-21-7-3-2-6-19(20)21)31-24(30)17-5-4-12-27(14-17)23(29)16-8-10-18(25)11-9-16/h2-3,6-11,13,15,17,26H,4-5,12,14H2,1H3.
What are the key properties of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate has a molecular weight of 422.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 42925719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).