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

C18H23N3O2S — CID 171328849

IUPACN-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
SMILESCOc1cccc2sc(N3CCC(N(C)C(=O)C4CC4)CC3)nc12
InChIInChI=1S/C18H23N3O2S/c1-20(17(22)12-6-7-12)13-8-10-21(11-9-13)18-19-16-14(23-2)4-3-5-15(16)24-18/h3-5,12-13H,6-11H2,1-2H3
InChIKeyNKRUUKXIDYLBHH-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.14
Rot. Bonds4

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

N-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide (PubChem CID 171328849) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
PubChem CID171328849
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
SMILESCOc1cccc2sc(N3CCC(N(C)C(=O)C4CC4)CC3)nc12
InChIInChI=1S/C18H23N3O2S/c1-20(17(22)12-6-7-12)13-8-10-21(11-9-13)18-19-16-14(23-2)4-3-5-15(16)24-18/h3-5,12-13H,6-11H2,1-2H3
InChIKeyNKRUUKXIDYLBHH-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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Related Compounds

1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603719
cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539384
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
CID 171328851
N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328840
N-methyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328562
1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 90609454
[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 121127853
1,1,3-trimethyl-3-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]urea
CID 166603782
N-cyclopentyl-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 71800294
2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole
CID 16849815
N-ethyl-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121127878
N-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide
CID 171691651

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide (CID 171328849) is N-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide is COc1cccc2sc(N3CCC(N(C)C(=O)C4CC4)CC3)nc12.
What is the InChIKey of N-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide?
The InChIKey is NKRUUKXIDYLBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20(17(22)12-6-7-12)13-8-10-21(11-9-13)18-19-16-14(23-2)4-3-5-15(16)24-18/h3-5,12-13H,6-11H2,1-2H3.
What are the key properties of N-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide?
N-[1-(4-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-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 171328849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).