3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide

C18H28N2OS — CID 140519163

IUPAC3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCCCC1CN1CCCCC1
InChIInChI=1S/C18H28N2OS/c1-14-9-12-22-17(14)18(21)19-16-8-4-3-7-15(16)13-20-10-5-2-6-11-20/h9,12,15-16H,2-8,10-11,13H2,1H3,(H,19,21)
InChIKeyVLFUKAMZZWUMDO-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.83
Rot. Bonds4

About 3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide

3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 140519163) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is 3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide
PubChem CID140519163
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCCCC1CN1CCCCC1
InChIInChI=1S/C18H28N2OS/c1-14-9-12-22-17(14)18(21)19-16-8-4-3-7-15(16)13-20-10-5-2-6-11-20/h9,12,15-16H,2-8,10-11,13H2,1H3,(H,19,21)
InChIKeyVLFUKAMZZWUMDO-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 106366771
N-(2-aminocyclohexyl)-3-methylthiophene-2-carboxamide;hydrochloride
CID 71638238
cis-(1R,2S)-2-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161349
N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-3-carboxamide
CID 24871869
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24872464
4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24871867
N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide
CID 24871627
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 159696252
N-[2-(piperidin-1-ylmethyl)cyclohexyl]-3-thiophen-2-ylpropanamide
CID 74340203
4-(2-methoxyethoxy)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24873264
N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide
CID 30768194

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide (CID 140519163) is 3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)NC1CCCCC1CN1CCCCC1.
What is the InChIKey of 3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is VLFUKAMZZWUMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-14-9-12-22-17(14)18(21)19-16-8-4-3-7-15(16)13-20-10-5-2-6-11-20/h9,12,15-16H,2-8,10-11,13H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide?
3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 320.50 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 140519163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).