(4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone

C22H23NO3S — CID 166104986

IUPAC(4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(COc3ccccc3)C2)c2sccc12
InChIInChI=1S/C22H23NO3S/c1-25-20-10-9-19(21-18(20)11-13-27-21)22(24)23-12-5-6-16(14-23)15-26-17-7-3-2-4-8-17/h2-4,7-11,13,16H,5-6,12,14-15H2,1H3
InChIKeyDAUOJZMWKKVGNW-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.84
Rot. Bonds5

About (4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone

(4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone (PubChem CID 166104986) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is (4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
PubChem CID166104986
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC Name(4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(COc3ccccc3)C2)c2sccc12
InChIInChI=1S/C22H23NO3S/c1-25-20-10-9-19(21-18(20)11-13-27-21)22(24)23-12-5-6-16(14-23)15-26-17-7-3-2-4-8-17/h2-4,7-11,13,16H,5-6,12,14-15H2,1H3
InChIKeyDAUOJZMWKKVGNW-UHFFFAOYSA-N
XLogP4.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-chloro-4-ethoxy-5-methoxyphenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971306
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
[3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride
CID 119464967
(8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971286
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971207
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 163339664
1,3-benzothiazol-7-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 156586008
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone (CID 166104986) is (4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC(COc3ccccc3)C2)c2sccc12.
What is the InChIKey of (4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The InChIKey is DAUOJZMWKKVGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-25-20-10-9-19(21-18(20)11-13-27-21)22(24)23-12-5-6-16(14-23)15-26-17-7-3-2-4-8-17/h2-4,7-11,13,16H,5-6,12,14-15H2,1H3.
What are the key properties of (4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone?
(4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone has a molecular weight of 381.50 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-benzothiophen-7-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 166104986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).