1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C16H17N3O3S — CID 46907748

IUPAC1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OCO4)s2)CC1
InChIInChI=1S/C16H17N3O3S/c17-15(20)10-3-5-19(6-4-10)16-18-8-14(23-16)11-1-2-12-13(7-11)22-9-21-12/h1-2,7-8,10H,3-6,9H2,(H2,17,20)
InChIKeyVTCJZEIDWGDZPP-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.24
Rot. Bonds3

About 1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907748) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907748
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OCO4)s2)CC1
InChIInChI=1S/C16H17N3O3S/c17-15(20)10-3-5-19(6-4-10)16-18-8-14(23-16)11-1-2-12-13(7-11)22-9-21-12/h1-2,7-8,10H,3-6,9H2,(H2,17,20)
InChIKeyVTCJZEIDWGDZPP-UHFFFAOYSA-N
XLogP2.24
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907748) is 1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OCO4)s2)CC1.
What is the InChIKey of 1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is VTCJZEIDWGDZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c17-15(20)10-3-5-19(6-4-10)16-18-8-14(23-16)11-1-2-12-13(7-11)22-9-21-12/h1-2,7-8,10H,3-6,9H2,(H2,17,20).
What are the key properties of 1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).