4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide

C15H24N2OS — CID 17249877

IUPAC4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide
SMILESCCCN1CCC(NC(=O)c2csc(C)c2C)CC1
InChIInChI=1S/C15H24N2OS/c1-4-7-17-8-5-13(6-9-17)16-15(18)14-10-19-12(3)11(14)2/h10,13H,4-9H2,1-3H3,(H,16,18)
InChIKeyMDHBLMIDUVRFQU-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.97
Rot. Bonds4

About 4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide

4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide (PubChem CID 17249877) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide
PubChem CID17249877
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide
SMILESCCCN1CCC(NC(=O)c2csc(C)c2C)CC1
InChIInChI=1S/C15H24N2OS/c1-4-7-17-8-5-13(6-9-17)16-15(18)14-10-19-12(3)11(14)2/h10,13H,4-9H2,1-3H3,(H,16,18)
InChIKeyMDHBLMIDUVRFQU-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide (CID 17249877) is 4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide is CCCN1CCC(NC(=O)c2csc(C)c2C)CC1.
What is the InChIKey of 4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide?
The InChIKey is MDHBLMIDUVRFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-7-17-8-5-13(6-9-17)16-15(18)14-10-19-12(3)11(14)2/h10,13H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide?
4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide has a molecular weight of 280.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 17249877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).