[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

C23H25ClN2O5S — CID 2448847

IUPAC[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESC[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C23H25ClN2O5S/c1-16(22(27)26-15-12-17-4-2-3-5-21(17)26)31-23(28)18-10-13-25(14-11-18)32(29,30)20-8-6-19(24)7-9-20/h2-9,16,18H,10-15H2,1H3/t16-/m1/s1
InChIKeyJCCALTPWBCYQLC-MRXNPFEDSA-N
MW476.98 g/mol
LogP3.26
Rot. Bonds5

About [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 2448847) has the molecular formula C23H25ClN2O5S and a molecular weight of 476.98 g/mol. Its IUPAC name is [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID2448847
Molecular FormulaC23H25ClN2O5S
Molecular Weight476.98 g/mol
Exact Mass476.12
IUPAC Name[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESC[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C23H25ClN2O5S/c1-16(22(27)26-15-12-17-4-2-3-5-21(17)26)31-23(28)18-10-13-25(14-11-18)32(29,30)20-8-6-19(24)7-9-20/h2-9,16,18H,10-15H2,1H3/t16-/m1/s1
InChIKeyJCCALTPWBCYQLC-MRXNPFEDSA-N
XLogP3.26
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.98
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate with MolForge

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Related Compounds

[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 42903277
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 2078561
[(1R)-1-cyanoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 7739720
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2661673
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2,5-dichlorobenzoate
CID 2661564
[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 46622331
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 42979106
(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7425461
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 16540390
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 46811098
N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 95091870
(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 2708811

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate (CID 2448847) is [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate is C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)N1CCc2ccccc21.
What is the InChIKey of [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is JCCALTPWBCYQLC-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25ClN2O5S/c1-16(22(27)26-15-12-17-4-2-3-5-21(17)26)31-23(28)18-10-13-25(14-11-18)32(29,30)20-8-6-19(24)7-9-20/h2-9,16,18H,10-15H2,1H3/t16-/m1/s1.
What are the key properties of [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate?
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 476.98 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 2448847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).