(3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate

C22H23NO4S — CID 70678410

IUPAC(3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate
SMILESCOc1cccc(COC(=O)c2sc3ccccc3c2OC2CCNCC2)c1
InChIInChI=1S/C22H23NO4S/c1-25-17-6-4-5-15(13-17)14-26-22(24)21-20(27-16-9-11-23-12-10-16)18-7-2-3-8-19(18)28-21/h2-8,13,16,23H,9-12,14H2,1H3
InChIKeyGEVWCNOQZDSSIG-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.40
Rot. Bonds6

About (3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate

(3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate (PubChem CID 70678410) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate
PubChem CID70678410
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC Name(3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate
SMILESCOc1cccc(COC(=O)c2sc3ccccc3c2OC2CCNCC2)c1
InChIInChI=1S/C22H23NO4S/c1-25-17-6-4-5-15(13-17)14-26-22(24)21-20(27-16-9-11-23-12-10-16)18-7-2-3-8-19(18)28-21/h2-8,13,16,23H,9-12,14H2,1H3
InChIKeyGEVWCNOQZDSSIG-UHFFFAOYSA-N
XLogP4.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Phenylpropyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate
CID 71586086
2-(3-Methoxyphenyl)ethyl 3-(4-piperidyloxy)benzothiophene-2-carboxylate
CID 71586087
Phenethyl 3-(4-piperidyloxy)benzothiophene-2-carboxylate
CID 71586089
2-Phenoxyethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate
CID 71586185
2-(3,5-Dimethoxyphenyl)ethyl 3-(4-piperidyloxy)benzothiophene-2-carboxylate
CID 71586380
(3-Methoxyphenyl)methyl 3-piperidin-4-yloxythiophene-2-carboxylate
CID 89614977
3-Isopropoxy-5-methoxy-benzo[b]thiophene-2-carboxylic acid methylamide
CID 10107659
Ethyl 3-(piperidin-4-yloxy)benzo[b]thiophene-2-carboxylate
CID 71545383
Benzyl 3-(4-piperidyloxy)benzothiophene-2-carboxylate
CID 71545388
N-benzyl-3-(4-piperidyloxy)benzothiophene-2-carboxamide
CID 71545543
N-[(3-methoxyphenyl)methyl]-3-(4-piperidyloxy)benzothiophene-2-carboxamide
CID 71545544
N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
CID 71586090

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate (CID 70678410) is (3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate is COc1cccc(COC(=O)c2sc3ccccc3c2OC2CCNCC2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate?
The InChIKey is GEVWCNOQZDSSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-25-17-6-4-5-15(13-17)14-26-22(24)21-20(27-16-9-11-23-12-10-16)18-7-2-3-8-19(18)28-21/h2-8,13,16,23H,9-12,14H2,1H3.
What are the key properties of (3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate?
(3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate has a molecular weight of 397.50 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 70678410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).