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

C21H23N3O2S — CID 24901591

IUPACN-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C21H23N3O2S/c1-15(25)22-17-10-12-24(13-11-17)14-16-6-8-18(9-7-16)26-21-23-19-4-2-3-5-20(19)27-21/h2-9,17H,10-14H2,1H3,(H,22,25)
InChIKeyUVZMEOGKJYOCNE-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.19
Rot. Bonds5

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

N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 24901591) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID24901591
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C21H23N3O2S/c1-15(25)22-17-10-12-24(13-11-17)14-16-6-8-18(9-7-16)26-21-23-19-4-2-3-5-20(19)27-21/h2-9,17H,10-14H2,1H3,(H,22,25)
InChIKeyUVZMEOGKJYOCNE-UHFFFAOYSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]acetamide (CID 24901591) is N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1.
What is the InChIKey of N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is UVZMEOGKJYOCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15(25)22-17-10-12-24(13-11-17)14-16-6-8-18(9-7-16)26-21-23-19-4-2-3-5-20(19)27-21/h2-9,17H,10-14H2,1H3,(H,22,25).
What are the key properties of N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]acetamide?
N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 24901591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).