[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone

C19H25N3O3S — CID 165435619

IUPAC[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCOc1cccc2sc(N3CCC(C(=O)N4CCOCC4)CC3)nc12
InChIInChI=1S/C19H25N3O3S/c1-2-25-15-4-3-5-16-17(15)20-19(26-16)22-8-6-14(7-9-22)18(23)21-10-12-24-13-11-21/h3-5,14H,2,6-13H2,1H3
InChIKeyCFQIJZATSKRCHB-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.77
Rot. Bonds4

About [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 165435619) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID165435619
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCOc1cccc2sc(N3CCC(C(=O)N4CCOCC4)CC3)nc12
InChIInChI=1S/C19H25N3O3S/c1-2-25-15-4-3-5-16-17(15)20-19(26-16)22-8-6-14(7-9-22)18(23)21-10-12-24-13-11-21/h3-5,14H,2,6-13H2,1H3
InChIKeyCFQIJZATSKRCHB-UHFFFAOYSA-N
XLogP2.77
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539384
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539422
[1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163354169
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 7539432
2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172902679
1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-diphenylethanone
CID 41116220
1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol
CID 171324124
N-(2-ethoxyphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609549
1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 7539470
(3,5-dichlorophenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43983118
(2-chloro-6-fluorophenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982462
N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 172903919

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 165435619) is [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone is CCOc1cccc2sc(N3CCC(C(=O)N4CCOCC4)CC3)nc12.
What is the InChIKey of [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is CFQIJZATSKRCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-2-25-15-4-3-5-16-17(15)20-19(26-16)22-8-6-14(7-9-22)18(23)21-10-12-24-13-11-21/h3-5,14H,2,6-13H2,1H3.
What are the key properties of [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 375.49 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 165435619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).