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

C12H18N2OS — CID 120557568

IUPAC4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC1CCNCC1C
InChIInChI=1S/C12H18N2OS/c1-8-5-13-4-3-11(8)14-12(15)10-7-16-6-9(10)2/h6-8,11,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyIAYWRLUUZXWPJJ-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.78
Rot. Bonds2

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

4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide (PubChem CID 120557568) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
PubChem CID120557568
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC1CCNCC1C
InChIInChI=1S/C12H18N2OS/c1-8-5-13-4-3-11(8)14-12(15)10-7-16-6-9(10)2/h6-8,11,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyIAYWRLUUZXWPJJ-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 79808924
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 120554553
2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 79803050
3-methyl-N-(4-methylthiophen-3-yl)piperidin-4-amine
CID 131021224
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2-benzamido-N-(3-methylpiperidin-4-yl)benzamide
CID 120557141
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide (CID 120557568) is 4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide is Cc1cscc1C(=O)NC1CCNCC1C.
What is the InChIKey of 4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide?
The InChIKey is IAYWRLUUZXWPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8-5-13-4-3-11(8)14-12(15)10-7-16-6-9(10)2/h6-8,11,13H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide?
4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 120557568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).