2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide

C17H28N4O2S — CID 117090218

IUPAC2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(N2CCCC(C(=O)N(CC)CC)C2)s1
InChIInChI=1S/C17H28N4O2S/c1-4-9-18-15(22)14-11-19-17(24-14)21-10-7-8-13(12-21)16(23)20(5-2)6-3/h11,13H,4-10,12H2,1-3H3,(H,18,22)
InChIKeyGWLCFULBBCOAKR-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.37
Rot. Bonds7

About 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide

2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 117090218) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID117090218
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(N2CCCC(C(=O)N(CC)CC)C2)s1
InChIInChI=1S/C17H28N4O2S/c1-4-9-18-15(22)14-11-19-17(24-14)21-10-7-8-13(12-21)16(23)20(5-2)6-3/h11,13H,4-10,12H2,1-3H3,(H,18,22)
InChIKeyGWLCFULBBCOAKR-UHFFFAOYSA-N
XLogP2.37
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide (CID 117090218) is 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1cnc(N2CCCC(C(=O)N(CC)CC)C2)s1.
What is the InChIKey of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is GWLCFULBBCOAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-4-9-18-15(22)14-11-19-17(24-14)21-10-7-8-13(12-21)16(23)20(5-2)6-3/h11,13H,4-10,12H2,1-3H3,(H,18,22).
What are the key properties of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide?
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117090218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).