N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide

C18H23N3O2S — CID 171328851

IUPACN-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
SMILESCOc1ccc2sc(N3CCC(N(C)C(=O)C4CC4)CC3)nc2c1
InChIInChI=1S/C18H23N3O2S/c1-20(17(22)12-3-4-12)13-7-9-21(10-8-13)18-19-15-11-14(23-2)5-6-16(15)24-18/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyXWDPDNZUSQUJTF-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.14
Rot. Bonds4

About N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide

N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide (PubChem CID 171328851) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
PubChem CID171328851
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
SMILESCOc1ccc2sc(N3CCC(N(C)C(=O)C4CC4)CC3)nc2c1
InChIInChI=1S/C18H23N3O2S/c1-20(17(22)12-3-4-12)13-7-9-21(10-8-13)18-19-15-11-14(23-2)5-6-16(15)24-18/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyXWDPDNZUSQUJTF-UHFFFAOYSA-N
XLogP3.14
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide (CID 171328851) is N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide is COc1ccc2sc(N3CCC(N(C)C(=O)C4CC4)CC3)nc2c1.
What is the InChIKey of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide?
The InChIKey is XWDPDNZUSQUJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20(17(22)12-3-4-12)13-7-9-21(10-8-13)18-19-15-11-14(23-2)5-6-16(15)24-18/h5-6,11-13H,3-4,7-10H2,1-2H3.
What are the key properties of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide?
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 171328851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).