[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C20H28N4O2S — CID 20883789

IUPAC[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCOc1ccc2nc(N3CCC(C(=O)N4CCN(C)CC4)CC3)sc2c1
InChIInChI=1S/C20H28N4O2S/c1-3-26-16-4-5-17-18(14-16)27-20(21-17)24-8-6-15(7-9-24)19(25)23-12-10-22(2)11-13-23/h4-5,14-15H,3,6-13H2,1-2H3
InChIKeyDHKDJRBLLZVZIU-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.69
Rot. Bonds4

About [1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 20883789) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is [1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID20883789
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCOc1ccc2nc(N3CCC(C(=O)N4CCN(C)CC4)CC3)sc2c1
InChIInChI=1S/C20H28N4O2S/c1-3-26-16-4-5-17-18(14-16)27-20(21-17)24-8-6-15(7-9-24)19(25)23-12-10-22(2)11-13-23/h4-5,14-15H,3,6-13H2,1-2H3
InChIKeyDHKDJRBLLZVZIU-UHFFFAOYSA-N
XLogP2.69
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 6625002
(4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 20883791
1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90611568
azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 15995116
N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20883697
ethyl 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 90611218
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 171995182
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 124772392
(3,5-dimethylpiperidin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 20883866
(4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 92667756
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 90611602
1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-hydroxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 154566228

Frequently Asked Questions

What is the IUPAC name of [1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 20883789) is [1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is CCOc1ccc2nc(N3CCC(C(=O)N4CCN(C)CC4)CC3)sc2c1.
What is the InChIKey of [1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DHKDJRBLLZVZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-3-26-16-4-5-17-18(14-16)27-20(21-17)24-8-6-15(7-9-24)19(25)23-12-10-22(2)11-13-23/h4-5,14-15H,3,6-13H2,1-2H3.
What are the key properties of [1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 388.54 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 20883789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).