3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide

C17H26N2O3S — CID 71878537

IUPAC3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H26N2O3S/c1-18(17(20)16-15(21-2)7-12-23-16)13-3-8-19(9-4-13)14-5-10-22-11-6-14/h7,12-14H,3-6,8-11H2,1-2H3
InChIKeyUCAOXSQDRMMIHG-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.47
Rot. Bonds4

About 3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide

3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 71878537) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID71878537
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H26N2O3S/c1-18(17(20)16-15(21-2)7-12-23-16)13-3-8-19(9-4-13)14-5-10-22-11-6-14/h7,12-14H,3-6,8-11H2,1-2H3
InChIKeyUCAOXSQDRMMIHG-UHFFFAOYSA-N
XLogP2.47
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide (CID 71878537) is 3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide is COc1ccsc1C(=O)N(C)C1CCN(C2CCOCC2)CC1.
What is the InChIKey of 3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is UCAOXSQDRMMIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-18(17(20)16-15(21-2)7-12-23-16)13-3-8-19(9-4-13)14-5-10-22-11-6-14/h7,12-14H,3-6,8-11H2,1-2H3.
What are the key properties of 3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 71878537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).