N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

C27H25N3O2S — CID 55606343

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2s1)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C27H25N3O2S/c31-25(17-19-9-2-1-3-10-19)30-16-8-11-20(18-30)26(32)28-22-13-5-4-12-21(22)27-29-23-14-6-7-15-24(23)33-27/h1-7,9-10,12-15,20H,8,11,16-18H2,(H,28,32)
InChIKeyHLDDFLVHIXWBAW-UHFFFAOYSA-N
MW455.58 g/mol
LogP5.38
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 55606343) has the molecular formula C27H25N3O2S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID55606343
Molecular FormulaC27H25N3O2S
Molecular Weight455.58 g/mol
Exact Mass455.17
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2s1)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C27H25N3O2S/c31-25(17-19-9-2-1-3-10-19)30-16-8-11-20(18-30)26(32)28-22-13-5-4-12-21(22)27-29-23-14-6-7-15-24(23)33-27/h1-7,9-10,12-15,20H,8,11,16-18H2,(H,28,32)
InChIKeyHLDDFLVHIXWBAW-UHFFFAOYSA-N
XLogP5.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55628957
N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119270096
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440
1-N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-N-ethylpiperidine-1,3-dicarboxamide
CID 86897139
(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55604677
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55794730
(2S)-N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 40860794
(2R)-N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 40878885
(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 51937770
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46481378

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 55606343) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is O=C(Nc1ccccc1-c1nc2ccccc2s1)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is HLDDFLVHIXWBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2S/c31-25(17-19-9-2-1-3-10-19)30-16-8-11-20(18-30)26(32)28-22-13-5-4-12-21(22)27-29-23-14-6-7-15-24(23)33-27/h1-7,9-10,12-15,20H,8,11,16-18H2,(H,28,32).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 55606343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).