2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide

C31H31N3O3S — CID 142983094

IUPAC2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
SMILESC[C@@](O)(Cc1ccccc1)C(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3ccccc3)cs2)CC1
InChIInChI=1S/C31H31N3O3S/c1-31(37,20-22-10-4-2-5-11-22)30(36)34-18-16-24(17-19-34)29-33-27(21-38-29)28(35)32-26-15-9-8-14-25(26)23-12-6-3-7-13-23/h2-15,21,24,37H,16-20H2,1H3,(H,32,35)/t31-/m1/s1
InChIKeyACNXETGPIAKVCY-WJOKGBTCSA-N
MW525.67 g/mol
LogP5.76
Rot. Bonds7

About 2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide

2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 142983094) has the molecular formula C31H31N3O3S and a molecular weight of 525.67 g/mol. Its IUPAC name is 2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID142983094
Molecular FormulaC31H31N3O3S
Molecular Weight525.67 g/mol
Exact Mass525.21
IUPAC Name2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
SMILESC[C@@](O)(Cc1ccccc1)C(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3ccccc3)cs2)CC1
InChIInChI=1S/C31H31N3O3S/c1-31(37,20-22-10-4-2-5-11-22)30(36)34-18-16-24(17-19-34)29-33-27(21-38-29)28(35)32-26-15-9-8-14-25(26)23-12-6-3-7-13-23/h2-15,21,24,37H,16-20H2,1H3,(H,32,35)/t31-/m1/s1
InChIKeyACNXETGPIAKVCY-WJOKGBTCSA-N
XLogP5.76
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.67
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-hexanoylpiperidin-4-yl)-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 71025983
ethyl 2-[[4-[4-[(2-phenylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]acetate
CID 59210159
N-[2-(4-chlorophenyl)phenyl]-2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209521
2-[1-(methoxymethylcarbamothioyl)piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59209245
N-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209378
2-[1-(ethylcarbamothioyl)piperidin-4-yl]-N-[2-(4-ethylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59208694
N-[2-(4-ethylphenyl)phenyl]-2-[1-(2-ethylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209367
2-[1-(4-oxohexanoyl)piperidin-4-yl]-N-[2-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 71026081
N-[2-(4-chlorophenyl)phenyl]-2-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 89090257
2-[1-(but-2-enylcarbamothioyl)piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 72531337
N-[2-(4-ethylphenyl)phenyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209045
ethyl 2-[[4-[4-[[2-(4-ethylphenyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]acetate
CID 59209605

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide (CID 142983094) is 2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide is C[C@@](O)(Cc1ccccc1)C(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3ccccc3)cs2)CC1.
What is the InChIKey of 2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ACNXETGPIAKVCY-WJOKGBTCSA-N. The full InChI is InChI=1S/C31H31N3O3S/c1-31(37,20-22-10-4-2-5-11-22)30(36)34-18-16-24(17-19-34)29-33-27(21-38-29)28(35)32-26-15-9-8-14-25(26)23-12-6-3-7-13-23/h2-15,21,24,37H,16-20H2,1H3,(H,32,35)/t31-/m1/s1.
What are the key properties of 2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide?
2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 525.67 g/mol, XLogP of 5.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 142983094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).