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

C13H20N2OS — CID 113226653

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)N2CCCCC2)s1
InChIInChI=1S/C13H20N2OS/c1-10-6-7-12(17-10)11(2)14-13(16)15-8-4-3-5-9-15/h6-7,11H,3-5,8-9H2,1-2H3,(H,14,16)
InChIKeyGILMFTUZRKLYSI-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.31
Rot. Bonds2

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

N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide (PubChem CID 113226653) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide
PubChem CID113226653
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)N2CCCCC2)s1
InChIInChI=1S/C13H20N2OS/c1-10-6-7-12(17-10)11(2)14-13(16)15-8-4-3-5-9-15/h6-7,11H,3-5,8-9H2,1-2H3,(H,14,16)
InChIKeyGILMFTUZRKLYSI-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126163
1-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea
CID 94576074
2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744116
N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide
CID 61475614
cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 43747882
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
3-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782082
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 97088653
N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide
CID 75833905
(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 54953706
(3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 81140632

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide (CID 113226653) is N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide is Cc1ccc(C(C)NC(=O)N2CCCCC2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is GILMFTUZRKLYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-6-7-12(17-10)11(2)14-13(16)15-8-4-3-5-9-15/h6-7,11H,3-5,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide?
N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 113226653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).