N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide

C17H26N2O3S — CID 53151072

IUPACN-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
SMILESCOCCC1CCN(C(=O)CN(C)C(=O)c2sccc2C)CC1
InChIInChI=1S/C17H26N2O3S/c1-13-7-11-23-16(13)17(21)18(2)12-15(20)19-8-4-14(5-9-19)6-10-22-3/h7,11,14H,4-6,8-10,12H2,1-3H3
InChIKeyPWGQNOFCBRMWJG-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.40
Rot. Bonds6

About N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide

N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide (PubChem CID 53151072) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
PubChem CID53151072
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
SMILESCOCCC1CCN(C(=O)CN(C)C(=O)c2sccc2C)CC1
InChIInChI=1S/C17H26N2O3S/c1-13-7-11-23-16(13)17(21)18(2)12-15(20)19-8-4-14(5-9-19)6-10-22-3/h7,11,14H,4-6,8-10,12H2,1-3H3
InChIKeyPWGQNOFCBRMWJG-UHFFFAOYSA-N
XLogP2.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide (CID 53151072) is N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide is COCCC1CCN(C(=O)CN(C)C(=O)c2sccc2C)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide?
The InChIKey is PWGQNOFCBRMWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-7-11-23-16(13)17(21)18(2)12-15(20)19-8-4-14(5-9-19)6-10-22-3/h7,11,14H,4-6,8-10,12H2,1-3H3.
What are the key properties of N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide?
N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 53151072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).