[4-(3-methoxyphenyl)piperazin-1-yl]-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone

C24H28N4O2S — CID 5308427

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)c1
InChIInChI=1S/C24H28N4O2S/c1-30-20-7-5-6-19(17-20)26-12-14-27(15-13-26)23(29)18-8-9-21-22(16-18)31-24(25-21)28-10-3-2-4-11-28/h5-9,16-17H,2-4,10-15H2,1H3
InChIKeyFFFRXIWAOZKWPF-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.26
Rot. Bonds4

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

[4-(3-methoxyphenyl)piperazin-1-yl]-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone (PubChem CID 5308427) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone
PubChem CID5308427
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)c1
InChIInChI=1S/C24H28N4O2S/c1-30-20-7-5-6-19(17-20)26-12-14-27(15-13-26)23(29)18-8-9-21-22(16-18)31-24(25-21)28-10-3-2-4-11-28/h5-9,16-17H,2-4,10-15H2,1H3
InChIKeyFFFRXIWAOZKWPF-UHFFFAOYSA-N
XLogP4.26
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone (CID 5308427) is [4-(3-methoxyphenyl)piperazin-1-yl]-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone is COc1cccc(N2CCN(C(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone?
The InChIKey is FFFRXIWAOZKWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-30-20-7-5-6-19(17-20)26-12-14-27(15-13-26)23(29)18-8-9-21-22(16-18)31-24(25-21)28-10-3-2-4-11-28/h5-9,16-17H,2-4,10-15H2,1H3.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone has a molecular weight of 436.58 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone is sourced from PubChem (CID 5308427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).