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

C24H23FN2O4 — CID 7740011

IUPAC[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESC[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C24H23FN2O4/c1-15(22(28)20-14-26-21-5-3-2-4-19(20)21)31-24(30)17-10-12-27(13-11-17)23(29)16-6-8-18(25)9-7-16/h2-9,14-15,17,26H,10-13H2,1H3/t15-/m0/s1
InChIKeyPLICCQLIVMPLLU-HNNXBMFYSA-N
MW422.46 g/mol
LogP3.97
Rot. Bonds5

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

[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 7740011) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID7740011
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESC[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C24H23FN2O4/c1-15(22(28)20-14-26-21-5-3-2-4-19(20)21)31-24(30)17-10-12-27(13-11-17)23(29)16-6-8-18(25)9-7-16/h2-9,14-15,17,26H,10-13H2,1H3/t15-/m0/s1
InChIKeyPLICCQLIVMPLLU-HNNXBMFYSA-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 [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate (CID 7740011) is [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate is C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is PLICCQLIVMPLLU-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-15(22(28)20-14-26-21-5-3-2-4-19(20)21)31-24(30)17-10-12-27(13-11-17)23(29)16-6-8-18(25)9-7-16/h2-9,14-15,17,26H,10-13H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-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 [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7740011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).