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

C24H26N4O2S — CID 24513884

IUPAC3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCc1nc(-c2ccc(CNC(=O)C3CCCN(C(=O)Nc4ccccc4)C3)cc2)cs1
InChIInChI=1S/C24H26N4O2S/c1-17-26-22(16-31-17)19-11-9-18(10-12-19)14-25-23(29)20-6-5-13-28(15-20)24(30)27-21-7-3-2-4-8-21/h2-4,7-12,16,20H,5-6,13-15H2,1H3,(H,25,29)(H,27,30)
InChIKeyNLYSOTXOEUSKFN-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.68
Rot. Bonds5

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

3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 24513884) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID24513884
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCc1nc(-c2ccc(CNC(=O)C3CCCN(C(=O)Nc4ccccc4)C3)cc2)cs1
InChIInChI=1S/C24H26N4O2S/c1-17-26-22(16-31-17)19-11-9-18(10-12-19)14-25-23(29)20-6-5-13-28(15-20)24(30)27-21-7-3-2-4-8-21/h2-4,7-12,16,20H,5-6,13-15H2,1H3,(H,25,29)(H,27,30)
InChIKeyNLYSOTXOEUSKFN-UHFFFAOYSA-N
XLogP4.68
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17446212
1-N-phenyl-3-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 55711481
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947029
(3S)-1-(2-methylsulfanylacetyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 177213828
(3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 7435297
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidine-3-carboxamide
CID 24533422
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 136527332
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786

Frequently Asked Questions

What is the IUPAC name of 3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 24513884) is 3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is Cc1nc(-c2ccc(CNC(=O)C3CCCN(C(=O)Nc4ccccc4)C3)cc2)cs1.
What is the InChIKey of 3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is NLYSOTXOEUSKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-17-26-22(16-31-17)19-11-9-18(10-12-19)14-25-23(29)20-6-5-13-28(15-20)24(30)27-21-7-3-2-4-8-21/h2-4,7-12,16,20H,5-6,13-15H2,1H3,(H,25,29)(H,27,30).
What are the key properties of 3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 24513884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).