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

C13H20N2OS — CID 54873202

IUPACN-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)C1CCNCC1
InChIInChI=1S/C13H20N2OS/c1-10(12-4-3-9-17-12)15(2)13(16)11-5-7-14-8-6-11/h3-4,9-11,14H,5-8H2,1-2H3
InChIKeyVPLRXNFAPXTWOT-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.27
Rot. Bonds3

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

N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 54873202) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID54873202
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)C1CCNCC1
InChIInChI=1S/C13H20N2OS/c1-10(12-4-3-9-17-12)15(2)13(16)11-5-7-14-8-6-11/h3-4,9-11,14H,5-8H2,1-2H3
InChIKeyVPLRXNFAPXTWOT-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-oxo-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 112728802
(2R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 104913432
N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119275393
N-methyl-2-piperidin-3-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 62674552
2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 64610778
N-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119267119
N-methyl-N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 60964201
N-methyl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 63005298
3-[methyl(1-thiophen-2-ylethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 60949884
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide
CID 145326526
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide
CID 119551706

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 54873202) is N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide is CC(c1cccs1)N(C)C(=O)C1CCNCC1.
What is the InChIKey of N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is VPLRXNFAPXTWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10(12-4-3-9-17-12)15(2)13(16)11-5-7-14-8-6-11/h3-4,9-11,14H,5-8H2,1-2H3.
What are the key properties of N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide?
N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 54873202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).