N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide

C22H25N3O2S — CID 24901588

IUPACN-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C22H25N3O2S/c1-16(26)23-18-11-14-25(15-12-18)13-10-17-6-8-19(9-7-17)27-22-24-20-4-2-3-5-21(20)28-22/h2-9,18H,10-15H2,1H3,(H,23,26)
InChIKeyPSVCSILLBNBXNX-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.23
Rot. Bonds6

About N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide

N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide (PubChem CID 24901588) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide
PubChem CID24901588
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C22H25N3O2S/c1-16(26)23-18-11-14-25(15-12-18)13-10-17-6-8-19(9-7-17)27-22-24-20-4-2-3-5-21(20)28-22/h2-9,18H,10-15H2,1H3,(H,23,26)
InChIKeyPSVCSILLBNBXNX-UHFFFAOYSA-N
XLogP4.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide (CID 24901588) is N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1.
What is the InChIKey of N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide?
The InChIKey is PSVCSILLBNBXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-16(26)23-18-11-14-25(15-12-18)13-10-17-6-8-19(9-7-17)27-22-24-20-4-2-3-5-21(20)28-22/h2-9,18H,10-15H2,1H3,(H,23,26).
What are the key properties of N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide?
N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide has a molecular weight of 395.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 24901588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).