azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone

C20H27N3O2S — CID 15995116

IUPACazepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
SMILESCOc1ccc2nc(N3CCC(C(=O)N4CCCCCC4)CC3)sc2c1
InChIInChI=1S/C20H27N3O2S/c1-25-16-6-7-17-18(14-16)26-20(21-17)23-12-8-15(9-13-23)19(24)22-10-4-2-3-5-11-22/h6-7,14-15H,2-5,8-13H2,1H3
InChIKeyFSOIPRLAMOXORZ-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.92
Rot. Bonds3

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

azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone (PubChem CID 15995116) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
PubChem CID15995116
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Nameazepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
SMILESCOc1ccc2nc(N3CCC(C(=O)N4CCCCCC4)CC3)sc2c1
InChIInChI=1S/C20H27N3O2S/c1-25-16-6-7-17-18(14-16)26-20(21-17)23-12-8-15(9-13-23)19(24)22-10-4-2-3-5-11-22/h6-7,14-15H,2-5,8-13H2,1H3
InChIKeyFSOIPRLAMOXORZ-UHFFFAOYSA-N
XLogP3.92
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90611568
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 6625002
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 90611602
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide
CID 71802530
N-methoxy-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611632
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20883789
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90612052
(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
CID 94216624
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 90611616
cyclohexyl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 18575569

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone (CID 15995116) is azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone is COc1ccc2nc(N3CCC(C(=O)N4CCCCCC4)CC3)sc2c1.
What is the InChIKey of azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
The InChIKey is FSOIPRLAMOXORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-25-16-6-7-17-18(14-16)26-20(21-17)23-12-8-15(9-13-23)19(24)22-10-4-2-3-5-11-22/h6-7,14-15H,2-5,8-13H2,1H3.
What are the key properties of azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone has a molecular weight of 373.52 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 15995116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).