1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide

C23H23N3O4S — CID 55368428

IUPAC1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)(c2ccccc2)CC1
InChIInChI=1S/C23H23N3O4S/c1-15(27)26-9-7-23(8-10-26,16-5-3-2-4-6-16)21(28)25-22-24-17-13-18-19(14-20(17)31-22)30-12-11-29-18/h2-6,13-14H,7-12H2,1H3,(H,24,25,28)
InChIKeyQUHXZENYJMAANO-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.59
Rot. Bonds3

About 1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide

1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide (PubChem CID 55368428) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide
PubChem CID55368428
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)(c2ccccc2)CC1
InChIInChI=1S/C23H23N3O4S/c1-15(27)26-9-7-23(8-10-26,16-5-3-2-4-6-16)21(28)25-22-24-17-13-18-19(14-20(17)31-22)30-12-11-29-18/h2-6,13-14H,7-12H2,1H3,(H,24,25,28)
InChIKeyQUHXZENYJMAANO-UHFFFAOYSA-N
XLogP3.59
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide (CID 55368428) is 1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide?
The InChIKey is QUHXZENYJMAANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-15(27)26-9-7-23(8-10-26,16-5-3-2-4-6-16)21(28)25-22-24-17-13-18-19(14-20(17)31-22)30-12-11-29-18/h2-6,13-14H,7-12H2,1H3,(H,24,25,28).
What are the key properties of 1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide?
1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55368428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).