N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide

C14H22N2OS — CID 106740195

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCc1cc(CNC(=O)C2CCNC(C)C2)sc1C
InChIInChI=1S/C14H22N2OS/c1-9-6-13(18-11(9)3)8-16-14(17)12-4-5-15-10(2)7-12/h6,10,12,15H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyLDFJAJXXWOYWRV-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.37
Rot. Bonds3

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 106740195) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide
PubChem CID106740195
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCc1cc(CNC(=O)C2CCNC(C)C2)sc1C
InChIInChI=1S/C14H22N2OS/c1-9-6-13(18-11(9)3)8-16-14(17)12-4-5-15-10(2)7-12/h6,10,12,15H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyLDFJAJXXWOYWRV-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide
CID 65241369
(2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 103812203
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 106739536
(2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120631128
(2R,5S)-5-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945358
N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652
4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 106740056
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-3-ylacetamide
CID 65241372
3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 65245992
2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 106739789

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide (CID 106740195) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide is Cc1cc(CNC(=O)C2CCNC(C)C2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is LDFJAJXXWOYWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9-6-13(18-11(9)3)8-16-14(17)12-4-5-15-10(2)7-12/h6,10,12,15H,4-5,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106740195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).