4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

C25H28N4O2S — CID 17446212

IUPAC4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)cs1
InChIInChI=1S/C25H28N4O2S/c1-18-27-23(17-32-18)20-9-7-19(8-10-20)11-14-26-24(30)21-12-15-29(16-13-21)25(31)28-22-5-3-2-4-6-22/h2-10,17,21H,11-16H2,1H3,(H,26,30)(H,28,31)
InChIKeyJPEUXQZJXGETHN-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.72
Rot. Bonds6

About 4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 17446212) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID17446212
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)cs1
InChIInChI=1S/C25H28N4O2S/c1-18-27-23(17-32-18)20-9-7-19(8-10-20)11-14-26-24(30)21-12-15-29(16-13-21)25(31)28-22-5-3-2-4-6-22/h2-10,17,21H,11-16H2,1H3,(H,26,30)(H,28,31)
InChIKeyJPEUXQZJXGETHN-UHFFFAOYSA-N
XLogP4.72
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672380
3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24513884
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
1-(benzenesulfonyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-2-carboxamide
CID 46532670
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CID 95160498
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457
1-acetyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperidine-4-carboxamide
CID 18120375
4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26776914
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46409351
1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 46632803
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide (CID 17446212) is 4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide is Cc1nc(-c2ccc(CCNC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)cs1.
What is the InChIKey of 4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is JPEUXQZJXGETHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-18-27-23(17-32-18)20-9-7-19(8-10-20)11-14-26-24(30)21-12-15-29(16-13-21)25(31)28-22-5-3-2-4-6-22/h2-10,17,21H,11-16H2,1H3,(H,26,30)(H,28,31).
What are the key properties of 4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 17446212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).