4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide

C13H20N2OS — CID 115583183

IUPAC4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)c2cccs2)CC1
InChIInChI=1S/C13H20N2OS/c1-10-5-7-15(8-6-10)13(16)14-11(2)12-4-3-9-17-12/h3-4,9-11H,5-8H2,1-2H3,(H,14,16)
InChIKeyIFDWAUBOWXRQMF-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.25
Rot. Bonds2

About 4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide

4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide (PubChem CID 115583183) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
PubChem CID115583183
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)c2cccs2)CC1
InChIInChI=1S/C13H20N2OS/c1-10-5-7-15(8-6-10)13(16)14-11(2)12-4-3-9-17-12/h3-4,9-11H,5-8H2,1-2H3,(H,14,16)
InChIKeyIFDWAUBOWXRQMF-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide
CID 33498882
4-methyl-N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113223974
3-methyl-N-(1-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 51083633
N,N-dimethyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxamide
CID 83261830
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 115583197
N-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide
CID 79153018
2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436008
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 115578693
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 103441573
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 111438385
4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 110901055

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide (CID 115583183) is 4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide is CC1CCN(C(=O)NC(C)c2cccs2)CC1.
What is the InChIKey of 4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide?
The InChIKey is IFDWAUBOWXRQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-5-7-15(8-6-10)13(16)14-11(2)12-4-3-9-17-12/h3-4,9-11H,5-8H2,1-2H3,(H,14,16).
What are the key properties of 4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide?
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 115583183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).