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

C13H20N2OS — CID 54953950

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCCCN2)s1
InChIInChI=1S/C13H20N2OS/c1-9-6-7-12(17-9)10(2)15-13(16)11-5-3-4-8-14-11/h6-7,10-11,14H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyDGANRSNUIHSLDB-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.38
Rot. Bonds3

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

N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide (PubChem CID 54953950) 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-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide
PubChem CID54953950
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCCCN2)s1
InChIInChI=1S/C13H20N2OS/c1-9-6-7-12(17-9)10(2)15-13(16)11-5-3-4-8-14-11/h6-7,10-11,14H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyDGANRSNUIHSLDB-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide
CID 107068069
N-(1-thiophen-2-ylethyl)azepane-2-carboxamide
CID 64563977
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 81140632
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
N-(1-thiophen-3-ylethyl)piperidine-2-carboxamide
CID 62842811
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
(2R)-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-2-carboxamide
CID 103808925
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide (CID 54953950) is N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide is Cc1ccc(C(C)NC(=O)C2CCCCN2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is DGANRSNUIHSLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-6-7-12(17-9)10(2)15-13(16)11-5-3-4-8-14-11/h6-7,10-11,14H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide?
N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 54953950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).