[1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone

C18H19NO3S — CID 110394347

IUPAC[1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
SMILESCOc1ccccc1C(=O)N1CCC(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H19NO3S/c1-22-15-6-3-2-5-14(15)18(21)19-10-8-13(9-11-19)17(20)16-7-4-12-23-16/h2-7,12-13H,8-11H2,1H3
InChIKeyWRGWMUNBJNOBFU-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.49
Rot. Bonds4

About [1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone

[1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone (PubChem CID 110394347) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is [1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
PubChem CID110394347
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name[1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
SMILESCOc1ccccc1C(=O)N1CCC(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H19NO3S/c1-22-15-6-3-2-5-14(15)18(21)19-10-8-13(9-11-19)17(20)16-7-4-12-23-16/h2-7,12-13H,8-11H2,1H3
InChIKeyWRGWMUNBJNOBFU-UHFFFAOYSA-N
XLogP3.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110820518
2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394378
[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394349
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 110346788
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 24719570
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
(2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786960
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27757040
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 31826968

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone (CID 110394347) is [1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone is COc1ccccc1C(=O)N1CCC(C(=O)c2cccs2)CC1.
What is the InChIKey of [1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone?
The InChIKey is WRGWMUNBJNOBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-22-15-6-3-2-5-14(15)18(21)19-10-8-13(9-11-19)17(20)16-7-4-12-23-16/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone?
[1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone has a molecular weight of 329.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110394347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).