3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

C12H18N2OS — CID 47114392

IUPAC3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCN(C)CC1
InChIInChI=1S/C12H18N2OS/c1-9-5-8-16-11(9)12(15)13-10-3-6-14(2)7-4-10/h5,8,10H,3-4,6-7H2,1-2H3,(H,13,15)
InChIKeyKIYITVVNSPYZTM-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.88
Rot. Bonds2

About 3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 47114392) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID47114392
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCN(C)CC1
InChIInChI=1S/C12H18N2OS/c1-9-5-8-16-11(9)12(15)13-10-3-6-14(2)7-4-10/h5,8,10H,3-4,6-7H2,1-2H3,(H,13,15)
InChIKeyKIYITVVNSPYZTM-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide
CID 30768194
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
CID 30789391
trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318295
N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide
CID 115880667
3-methyl-N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 53171402
3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 91631465
N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
CID 46992416
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110465347
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
ethane;5-methyl-N-(1-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 145257142
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 65306983

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 47114392) is 3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is Cc1ccsc1C(=O)NC1CCN(C)CC1.
What is the InChIKey of 3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is KIYITVVNSPYZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-5-8-16-11(9)12(15)13-10-3-6-14(2)7-4-10/h5,8,10H,3-4,6-7H2,1-2H3,(H,13,15).
What are the key properties of 3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 47114392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).