1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide

C21H21N3O2S — CID 9166952

IUPAC1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(c2ccccc2)c2nc3ccccc3s2)CC1
InChIInChI=1S/C21H21N3O2S/c1-15(25)23-13-11-16(12-14-23)20(26)24(17-7-3-2-4-8-17)21-22-18-9-5-6-10-19(18)27-21/h2-10,16H,11-14H2,1H3
InChIKeyVAYAFAAEEBFMIS-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.22
Rot. Bonds3

About 1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide

1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide (PubChem CID 9166952) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide
PubChem CID9166952
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(c2ccccc2)c2nc3ccccc3s2)CC1
InChIInChI=1S/C21H21N3O2S/c1-15(25)23-13-11-16(12-14-23)20(26)24(17-7-3-2-4-8-17)21-22-18-9-5-6-10-19(18)27-21/h2-10,16H,11-14H2,1H3
InChIKeyVAYAFAAEEBFMIS-UHFFFAOYSA-N
XLogP4.22
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 24603331
N-(1,3-benzothiazol-2-yl)-1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 24603324
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 112830366
1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride
CID 175170156
2-acetyl-N-(1,3-benzothiazol-2-yl)-3-(4-benzylpiperidin-1-yl)but-2-enehydrazide
CID 4267140
1,7-bis[4-[1,3-benzothiazol-2-yl(methyl)amino]piperidin-1-yl]heptane-1,7-dione
CID 59031007
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624087
N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide
CID 34256873
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide
CID 18117670
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560167
1-[(Z)-3-[amino(1,3-benzothiazol-2-yl)carbamoyl]-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide
CID 2192038
(3S)-1-acetyl-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 9394280

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide (CID 9166952) is 1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(c2ccccc2)c2nc3ccccc3s2)CC1.
What is the InChIKey of 1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is VAYAFAAEEBFMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-15(25)23-13-11-16(12-14-23)20(26)24(17-7-3-2-4-8-17)21-22-18-9-5-6-10-19(18)27-21/h2-10,16H,11-14H2,1H3.
What are the key properties of 1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide?
1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 9166952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).