3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide

C16H25N3O3S — CID 122147137

IUPAC3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCCC(C3(C)OCCO3)C2)s1
InChIInChI=1S/C16H25N3O3S/c1-11(2)13-9-17-14(23-13)18-15(20)19-6-4-5-12(10-19)16(3)21-7-8-22-16/h9,11-12H,4-8,10H2,1-3H3,(H,17,18,20)
InChIKeyIIZRZEVCGJRTII-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.27
Rot. Bonds3

About 3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide

3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 122147137) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID122147137
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCCC(C3(C)OCCO3)C2)s1
InChIInChI=1S/C16H25N3O3S/c1-11(2)13-9-17-14(23-13)18-15(20)19-6-4-5-12(10-19)16(3)21-7-8-22-16/h9,11-12H,4-8,10H2,1-3H3,(H,17,18,20)
InChIKeyIIZRZEVCGJRTII-UHFFFAOYSA-N
XLogP3.27
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 122147137) is 3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide is CC(C)c1cnc(NC(=O)N2CCCC(C3(C)OCCO3)C2)s1.
What is the InChIKey of 3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is IIZRZEVCGJRTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11(2)13-9-17-14(23-13)18-15(20)19-6-4-5-12(10-19)16(3)21-7-8-22-16/h9,11-12H,4-8,10H2,1-3H3,(H,17,18,20).
What are the key properties of 3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 122147137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).