1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide

C16H24N2O3S — CID 72866635

IUPAC1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)Cc2sccc2C)CCC1=O
InChIInChI=1S/C16H24N2O3S/c1-12-6-9-22-14(12)11-17(2)16(20)13-4-5-15(19)18(10-13)7-8-21-3/h6,9,13H,4-5,7-8,10-11H2,1-3H3
InChIKeyUNQFVWWLQZPSSR-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.90
Rot. Bonds6

About 1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide

1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 72866635) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID72866635
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)Cc2sccc2C)CCC1=O
InChIInChI=1S/C16H24N2O3S/c1-12-6-9-22-14(12)11-17(2)16(20)13-4-5-15(19)18(10-13)7-8-21-3/h6,9,13H,4-5,7-8,10-11H2,1-3H3
InChIKeyUNQFVWWLQZPSSR-UHFFFAOYSA-N
XLogP1.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 72866635) is 1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide is COCCN1CC(C(=O)N(C)Cc2sccc2C)CCC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is UNQFVWWLQZPSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-6-9-22-14(12)11-17(2)16(20)13-4-5-15(19)18(10-13)7-8-21-3/h6,9,13H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 72866635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).