4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide

C16H26N2OS — CID 114429111

IUPAC4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC(C)Cc2ccc(C)s2)C1
InChIInChI=1S/C16H26N2OS/c1-4-13-7-8-17-15(10-13)16(19)18-11(2)9-14-6-5-12(3)20-14/h5-6,11,13,15,17H,4,7-10H2,1-3H3,(H,18,19)
InChIKeyNJIYSPILBLWUCF-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.88
Rot. Bonds5

About 4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide

4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide (PubChem CID 114429111) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide
PubChem CID114429111
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC(C)Cc2ccc(C)s2)C1
InChIInChI=1S/C16H26N2OS/c1-4-13-7-8-17-15(10-13)16(19)18-11(2)9-14-6-5-12(3)20-14/h5-6,11,13,15,17H,4,7-10H2,1-3H3,(H,18,19)
InChIKeyNJIYSPILBLWUCF-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-2-carboxamide
CID 114428230
N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide
CID 114428187
N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119796716
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77044947
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119330940
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012
4-ethyl-N-(1-methoxypropan-2-yl)piperidine-2-carboxamide
CID 114427831
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide
CID 114428229
4-ethyl-N-(1-phenylethyl)piperidine-2-carboxamide
CID 114427805
4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
CID 104921936
3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119796724
4-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114429550

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide (CID 114429111) is 4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide is CCC1CCNC(C(=O)NC(C)Cc2ccc(C)s2)C1.
What is the InChIKey of 4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide?
The InChIKey is NJIYSPILBLWUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-13-7-8-17-15(10-13)16(19)18-11(2)9-14-6-5-12(3)20-14/h5-6,11,13,15,17H,4,7-10H2,1-3H3,(H,18,19).
What are the key properties of 4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide?
4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 114429111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).