[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate

C19H26FN3O5S — CID 4284721

IUPAC[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate
SMILESCOc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1
InChIInChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3
InChIKeySSPCCAYAIDNNJX-UHFFFAOYSA-N
MW427.50 g/mol
LogP1.73
Rot. Bonds8

About [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate

[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate (PubChem CID 4284721) has the molecular formula C19H26FN3O5S and a molecular weight of 427.50 g/mol. Its IUPAC name is [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate.

Molecular Properties

Compound Name[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate
PubChem CID4284721
Molecular FormulaC19H26FN3O5S
Molecular Weight427.50 g/mol
Exact Mass427.16
IUPAC Name[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate
SMILESCOc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1
InChIInChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3
InChIKeySSPCCAYAIDNNJX-UHFFFAOYSA-N
XLogP1.73
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate?
The IUPAC name of [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate (CID 4284721) is [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate.
What is the SMILES notation for [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate?
The canonical SMILES for [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate is COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1.
What is the InChIKey of [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate?
The InChIKey is SSPCCAYAIDNNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3.
What are the key properties of [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate?
[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate has a molecular weight of 427.50 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate is sourced from PubChem (CID 4284721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).