1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide

C15H22N2O2S — CID 62037634

IUPAC1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
SMILESCCc1ccc(C(=O)CN2CCCCC2C(=O)NC)s1
InChIInChI=1S/C15H22N2O2S/c1-3-11-7-8-14(20-11)13(18)10-17-9-5-4-6-12(17)15(19)16-2/h7-8,12H,3-6,9-10H2,1-2H3,(H,16,19)
InChIKeyUQXPJESXRLGSJN-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.09
Rot. Bonds5

About 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide

1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide (PubChem CID 62037634) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
PubChem CID62037634
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
SMILESCCc1ccc(C(=O)CN2CCCCC2C(=O)NC)s1
InChIInChI=1S/C15H22N2O2S/c1-3-11-7-8-14(20-11)13(18)10-17-9-5-4-6-12(17)15(19)16-2/h7-8,12H,3-6,9-10H2,1-2H3,(H,16,19)
InChIKeyUQXPJESXRLGSJN-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide (CID 62037634) is 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide is CCc1ccc(C(=O)CN2CCCCC2C(=O)NC)s1.
What is the InChIKey of 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is UQXPJESXRLGSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-11-7-8-14(20-11)13(18)10-17-9-5-4-6-12(17)15(19)16-2/h7-8,12H,3-6,9-10H2,1-2H3,(H,16,19).
What are the key properties of 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide?
1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 62037634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).