[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone

C20H20N2O2S — CID 7016179

IUPAC[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C20H20N2O2S/c1-24-16-6-4-5-15(13-16)20(23)22-11-9-14(10-12-22)19-21-17-7-2-3-8-18(17)25-19/h2-8,13-14H,9-12H2,1H3
InChIKeyROBCAWURJMJCME-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.32
Rot. Bonds3

About [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 7016179) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID7016179
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C20H20N2O2S/c1-24-16-6-4-5-15(13-16)20(23)22-11-9-14(10-12-22)19-21-17-7-2-3-8-18(17)25-19/h2-8,13-14H,9-12H2,1H3
InChIKeyROBCAWURJMJCME-UHFFFAOYSA-N
XLogP4.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ccg-63802
CID 6057678
1-(1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)pyrrolidin-2-one
CID 11189372
1-(1-{[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-yl)pyrrolidin-2-one
CID 11223519
1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidine-4-carboxamide
CID 11291973
N-(1-{2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)acetamide
CID 24901588
1-{[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl}piperidine-4-carboxamide
CID 24901590
N-(1-{[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-yl)acetamide
CID 24901591
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
2-Methyl-benzothiazole-6-carboxylic acid (4-methoxy-phenyl)-amide
CID 1085963
N-(4-methoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 712478
2-Methyl-benzothiazole-6-carboxylic acid (3-methoxy-phenyl)-amide
CID 1085964
3-Benzothiazol-2-yl-1-(4-ethoxy-phenyl)-propan-1-one
CID 1503445

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone (CID 7016179) is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is ROBCAWURJMJCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-24-16-6-4-5-15(13-16)20(23)22-11-9-14(10-12-22)19-21-17-7-2-3-8-18(17)25-19/h2-8,13-14H,9-12H2,1H3.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone?
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 352.46 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 7016179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).