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

C17H19NO2S — CID 574275

IUPAC[4-(2-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccccc1C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H19NO2S/c1-20-15-6-3-2-5-14(15)13-8-10-18(11-9-13)17(19)16-7-4-12-21-16/h2-7,12-13H,8-11H2,1H3
InChIKeyTYOMLRFCMQKKEK-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.78
Rot. Bonds3

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

[4-(2-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 574275) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID574275
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name[4-(2-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccccc1C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H19NO2S/c1-20-15-6-3-2-5-14(15)13-8-10-18(11-9-13)17(19)16-7-4-12-21-16/h2-7,12-13H,8-11H2,1H3
InChIKeyTYOMLRFCMQKKEK-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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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 574275) is [4-(2-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone is COc1ccccc1C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is TYOMLRFCMQKKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-20-15-6-3-2-5-14(15)13-8-10-18(11-9-13)17(19)16-7-4-12-21-16/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(2-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone 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 [4-(2-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 574275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).