N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide

C19H28N2O2S — CID 86857648

IUPACN-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)sc1C
InChIInChI=1S/C19H28N2O2S/c1-13-12-17(24-14(13)2)19(23)21-10-8-16(9-11-21)20-18(22)15-6-4-3-5-7-15/h12,15-16H,3-11H2,1-2H3,(H,20,22)
InChIKeyGVBJGWVCSKOLCA-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.67
Rot. Bonds3

About N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide

N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 86857648) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
PubChem CID86857648
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)sc1C
InChIInChI=1S/C19H28N2O2S/c1-13-12-17(24-14(13)2)19(23)21-10-8-16(9-11-21)20-18(22)15-6-4-3-5-7-15/h12,15-16H,3-11H2,1-2H3,(H,20,22)
InChIKeyGVBJGWVCSKOLCA-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
N-[1-(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60597263
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 108549958
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820253
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 108549986
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
(4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706841
(5R)-N-cyclohexyl-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 95109208
(4,5-dimethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900652
1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one
CID 60656667

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide (CID 86857648) is N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide is Cc1cc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)sc1C.
What is the InChIKey of N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is GVBJGWVCSKOLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-13-12-17(24-14(13)2)19(23)21-10-8-16(9-11-21)20-18(22)15-6-4-3-5-7-15/h12,15-16H,3-11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide?
N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 348.51 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 86857648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).