methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate

C24H25FN2O5S — CID 30559699

IUPACmethyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cn2cc(S(=O)(=O)Cc3ccccc3F)c3ccccc32)CC1
InChIInChI=1S/C24H25FN2O5S/c1-32-24(29)17-10-12-26(13-11-17)23(28)15-27-14-22(19-7-3-5-9-21(19)27)33(30,31)16-18-6-2-4-8-20(18)25/h2-9,14,17H,10-13,15-16H2,1H3
InChIKeyODSBIAPMHUXVBQ-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.17
Rot. Bonds6

About methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate

methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate (PubChem CID 30559699) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate
PubChem CID30559699
Molecular FormulaC24H25FN2O5S
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC Namemethyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cn2cc(S(=O)(=O)Cc3ccccc3F)c3ccccc32)CC1
InChIInChI=1S/C24H25FN2O5S/c1-32-24(29)17-10-12-26(13-11-17)23(28)15-27-14-22(19-7-3-5-9-21(19)27)33(30,31)16-18-6-2-4-8-20(18)25/h2-9,14,17H,10-13,15-16H2,1H3
InChIKeyODSBIAPMHUXVBQ-UHFFFAOYSA-N
XLogP3.17
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone
CID 20902782
ethyl 1-[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate
CID 30558942
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 30559725
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16834544
1-(azepan-1-yl)-2-(3-benzylsulfonylindol-1-yl)ethanone
CID 20902787
N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911157
1-(azepan-1-yl)-2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]ethanone
CID 18563563
2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]-1-piperidin-1-ylethanone
CID 18563468
1-(4-benzylpiperidin-1-yl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]ethanone
CID 30559357
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935925
N-benzyl-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-propan-2-ylacetamide
CID 30559684
N-(4-chloro-2-fluorophenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292105

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate (CID 30559699) is methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)Cn2cc(S(=O)(=O)Cc3ccccc3F)c3ccccc32)CC1.
What is the InChIKey of methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is ODSBIAPMHUXVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-32-24(29)17-10-12-26(13-11-17)23(28)15-27-14-22(19-7-3-5-9-21(19)27)33(30,31)16-18-6-2-4-8-20(18)25/h2-9,14,17H,10-13,15-16H2,1H3.
What are the key properties of methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 472.54 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 30559699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).