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

C13H20N2OS — CID 114278796

IUPAC3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC1CNCCC1C(=O)NCCc1cccs1
InChIInChI=1S/C13H20N2OS/c1-10-9-14-6-5-12(10)13(16)15-7-4-11-3-2-8-17-11/h2-3,8,10,12,14H,4-7,9H2,1H3,(H,15,16)
InChIKeyOTUZEQNPPRKMIR-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.65
Rot. Bonds4

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

3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 114278796) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID114278796
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC1CNCCC1C(=O)NCCc1cccs1
InChIInChI=1S/C13H20N2OS/c1-10-9-14-6-5-12(10)13(16)15-7-4-11-3-2-8-17-11/h2-3,8,10,12,14H,4-7,9H2,1H3,(H,15,16)
InChIKeyOTUZEQNPPRKMIR-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
CID 115177853
2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64816964
(1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 161110122
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260690
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
CID 115178054
1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one
CID 116568317
2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid
CID 130516226
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 114278796) is 3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is CC1CNCCC1C(=O)NCCc1cccs1.
What is the InChIKey of 3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is OTUZEQNPPRKMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-9-14-6-5-12(10)13(16)15-7-4-11-3-2-8-17-11/h2-3,8,10,12,14H,4-7,9H2,1H3,(H,15,16).
What are the key properties of 3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 114278796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).