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

C22H24N2O2S — CID 9218736

IUPAC[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C22H24N2O2S/c1-2-15-26-18-9-7-17(8-10-18)22(25)24-13-11-16(12-14-24)21-23-19-5-3-4-6-20(19)27-21/h3-10,16H,2,11-15H2,1H3
InChIKeyCTSYFNXIMPSXKN-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.10
Rot. Bonds5

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

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propoxyphenyl)methanone (PubChem CID 9218736) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propoxyphenyl)methanone
PubChem CID9218736
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C22H24N2O2S/c1-2-15-26-18-9-7-17(8-10-18)22(25)24-13-11-16(12-14-24)21-23-19-5-3-4-6-20(19)27-21/h3-10,16H,2,11-15H2,1H3
InChIKeyCTSYFNXIMPSXKN-UHFFFAOYSA-N
XLogP5.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propoxyphenyl)methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propoxyphenyl)methanone (CID 9218736) is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propoxyphenyl)methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propoxyphenyl)methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propoxyphenyl)methanone?
The InChIKey is CTSYFNXIMPSXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-2-15-26-18-9-7-17(8-10-18)22(25)24-13-11-16(12-14-24)21-23-19-5-3-4-6-20(19)27-21/h3-10,16H,2,11-15H2,1H3.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propoxyphenyl)methanone?
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propoxyphenyl)methanone has a molecular weight of 380.51 g/mol, XLogP of 5.10, 5 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]-(4-propoxyphenyl)methanone is sourced from PubChem (CID 9218736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).