(2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone

C17H19NO2S — CID 71786960

IUPAC(2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C17H19NO2S/c1-20-16-5-3-2-4-15(16)17(19)18-9-6-13(7-10-18)14-8-11-21-12-14/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyFIGSUSXXNKBBIP-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.78
Rot. Bonds3

About (2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone

(2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone (PubChem CID 71786960) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
PubChem CID71786960
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C17H19NO2S/c1-20-16-5-3-2-4-15(16)17(19)18-9-6-13(7-10-18)14-8-11-21-12-14/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyFIGSUSXXNKBBIP-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 51327321
N-(2-methoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide
CID 90522512
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
[1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394347
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 110289890
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
(2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 90522375
N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide
CID 90522522
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
(3-methoxy-1-methylpyrazol-4-yl)-(3-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 131703866

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone (CID 71786960) is (2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone is COc1ccccc1C(=O)N1CCC(c2ccsc2)CC1.
What is the InChIKey of (2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The InChIKey is FIGSUSXXNKBBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-20-16-5-3-2-4-15(16)17(19)18-9-6-13(7-10-18)14-8-11-21-12-14/h2-5,8,11-13H,6-7,9-10H2,1H3.
What are the key properties of (2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
(2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone has a molecular weight of 301.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71786960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).