4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide

C13H20N2OS — CID 52656985

IUPAC4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCc2ccsc2)CC1
InChIInChI=1S/C13H20N2OS/c1-11-3-7-15(8-4-11)13(16)14-6-2-12-5-9-17-10-12/h5,9-11H,2-4,6-8H2,1H3,(H,14,16)
InChIKeyPDTOVKDUWFFTQF-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.73
Rot. Bonds3

About 4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide

4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide (PubChem CID 52656985) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide
PubChem CID52656985
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCc2ccsc2)CC1
InChIInChI=1S/C13H20N2OS/c1-11-3-7-15(8-4-11)13(16)14-6-2-12-5-9-17-10-12/h5,9-11H,2-4,6-8H2,1H3,(H,14,16)
InChIKeyPDTOVKDUWFFTQF-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 47036203
3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071458
3-[2-[(4-methylpiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 63795102
N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide
CID 108901581
(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954110
5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide
CID 128724267
(2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
CID 129402914
(2R)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
CID 129402913
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
N-(thiophen-3-ylmethyl)azetidine-1-carboxamide
CID 130650634
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine
CID 127001246

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide (CID 52656985) is 4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide is CC1CCN(C(=O)NCCc2ccsc2)CC1.
What is the InChIKey of 4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide?
The InChIKey is PDTOVKDUWFFTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-11-3-7-15(8-4-11)13(16)14-6-2-12-5-9-17-10-12/h5,9-11H,2-4,6-8H2,1H3,(H,14,16).
What are the key properties of 4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide?
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 52656985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).