4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide

C15H24N2OS — CID 114429306

IUPAC4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide
SMILESCCc1ccsc1CNC(=O)C1CC(CC)CCN1
InChIInChI=1S/C15H24N2OS/c1-3-11-5-7-16-13(9-11)15(18)17-10-14-12(4-2)6-8-19-14/h6,8,11,13,16H,3-5,7,9-10H2,1-2H3,(H,17,18)
InChIKeyITIAVEPGQBMNIY-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.70
Rot. Bonds5

About 4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide

4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide (PubChem CID 114429306) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide
PubChem CID114429306
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide
SMILESCCc1ccsc1CNC(=O)C1CC(CC)CCN1
InChIInChI=1S/C15H24N2OS/c1-3-11-5-7-16-13(9-11)15(18)17-10-14-12(4-2)6-8-19-14/h6,8,11,13,16H,3-5,7,9-10H2,1-2H3,(H,17,18)
InChIKeyITIAVEPGQBMNIY-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
CID 114428592
4-ethyl-N-[(4-hydroxyphenyl)methyl]piperidine-2-carboxamide
CID 114429606
4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]piperidine-2-carboxamide
CID 114428953
4-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 114427828
N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide
CID 131165790
N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide
CID 114428687
4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
CID 114428575
(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119707041
5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 114429335
4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 114428577
2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 114429032
4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 114428574

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide (CID 114429306) is 4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide is CCc1ccsc1CNC(=O)C1CC(CC)CCN1.
What is the InChIKey of 4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide?
The InChIKey is ITIAVEPGQBMNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-11-5-7-16-13(9-11)15(18)17-10-14-12(4-2)6-8-19-14/h6,8,11,13,16H,3-5,7,9-10H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide?
4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide has a molecular weight of 280.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 114429306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).