5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide)

C143H150F2N18O13 — CID 159101688

IUPAC5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide)
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(C)c3ccc(-n4cccn4)cc3)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(C)c3ccc(-n4cccn4)cc3)C2)cc1.Cc1ccc(NC(=O)C2CN(C(=O)c3cccc(-c4cn[nH]c4)c3)CC(F)(F)C2)cc1
InChIInChI=1S/2C24H28N4O.3C24H24N2O3.C23H22F2N4O2/c2*1-18-6-10-22(11-7-18)26-24(29)21-5-3-15-27(17-21)19(2)20-8-12-23(13-9-20)28-16-4-14-25-28;3*1-17-9-11-21(12-10-17)25-23(27)20-7-3-13-26(16-20)24(28)19-6-2-5-18(15-19)22-8-4-14-29-22;1-15-5-7-20(8-6-15)28-21(30)18-10-23(24,25)14-29(13-18)22(31)17-4-2-3-16(9-17)19-11-26-27-12-19/h2*4,6-14,16,19,21H,3,5,15,17H2,1-2H3,(H,26,29);3*2,4-6,8-12,14-15,20H,3,7,13,16H2,1H3,(H,25,27);2-9,11-12,18H,10,13-14H2,1H3,(H,26,27)(H,28,30)
InChIKeyKDJDELLBUHSOIQ-UHFFFAOYSA-N
MW2366.88 g/mol
LogP27.54
Rot. Bonds26

About 5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide)

5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide) (PubChem CID 159101688) has the molecular formula C143H150F2N18O13 and a molecular weight of 2366.88 g/mol. Its IUPAC name is 5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide).

Molecular Properties

Compound Name5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide)
PubChem CID159101688
Molecular FormulaC143H150F2N18O13
Molecular Weight2366.88 g/mol
Exact Mass2365.16
IUPAC Name5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide)
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(C)c3ccc(-n4cccn4)cc3)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(C)c3ccc(-n4cccn4)cc3)C2)cc1.Cc1ccc(NC(=O)C2CN(C(=O)c3cccc(-c4cn[nH]c4)c3)CC(F)(F)C2)cc1
InChIInChI=1S/2C24H28N4O.3C24H24N2O3.C23H22F2N4O2/c2*1-18-6-10-22(11-7-18)26-24(29)21-5-3-15-27(17-21)19(2)20-8-12-23(13-9-20)28-16-4-14-25-28;3*1-17-9-11-21(12-10-17)25-23(27)20-7-3-13-26(16-20)24(28)19-6-2-5-18(15-19)22-8-4-14-29-22;1-15-5-7-20(8-6-15)28-21(30)18-10-23(24,25)14-29(13-18)22(31)17-4-2-3-16(9-17)19-11-26-27-12-19/h2*4,6-14,16,19,21H,3,5,15,17H2,1-2H3,(H,26,29);3*2,4-6,8-12,14-15,20H,3,7,13,16H2,1H3,(H,25,27);2-9,11-12,18H,10,13-14H2,1H3,(H,26,27)(H,28,30)
InChIKeyKDJDELLBUHSOIQ-UHFFFAOYSA-N
XLogP27.54
TPSA366.06 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002366.88
LogP ≤ 527.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide) with MolForge

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Related Compounds

7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-en-1-one;(E)-1-piperidin-1-yl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-en-1-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one
CID 157119948
bis(5-(benzylamino)-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-2-ylbenzoyl)piperidine-3-carboxamide
CID 158884599
N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide
CID 159133752
1-[6-(1-benzofuran-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;(2S)-2-[[2-(1-benzofuran-5-yl)-6-[2-[4-(trifluoromethyl)phenyl]acetyl]-4-pyridinyl]amino]propanamide;2-cyclohexyl-1-[6-(1H-indol-5-yl)-2-pyridinyl]ethanone;1-[6-(1H-indazol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;(2S)-2-[[2-(1H-indol-5-yl)-6-[2-[4-(trifluoromethyl)phenyl]acetyl]-4-pyridinyl]amino]propanamide;3-[[2-(1H-indol-5-yl)-6-[2-[4-(trifluoromethyl)phenyl]acetyl]-4-pyridinyl]amino]pyrrolidin-2-one
CID 160397759
1-[3-(furan-2-yl)benzoyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide;1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-3-carboxamide;1-[1-[3-(furan-2-yl)benzoyl]piperidin-3-yl]-2-(4-methylphenyl)propan-1-one;bis(N-(4-methylphenyl)-1-(4-pyrrol-1-ylbenzoyl)piperidine-3-carboxamide)
CID 159611573
4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;2-tert-butyl-6-methyl-4-pyridin-4-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;1-propan-2-ylpyrrolidin-2-one
CID 160790042

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide)?
The IUPAC name of 5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide) (CID 159101688) is 5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide).
What is the SMILES notation for 5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide)?
The canonical SMILES for 5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide) is Cc1ccc(NC(=O)C2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(C)c3ccc(-n4cccn4)cc3)C2)cc1.Cc1ccc(NC(=O)C2CCCN(C(C)c3ccc(-n4cccn4)cc3)C2)cc1.Cc1ccc(NC(=O)C2CN(C(=O)c3cccc(-c4cn[nH]c4)c3)CC(F)(F)C2)cc1.
What is the InChIKey of 5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide)?
The InChIKey is KDJDELLBUHSOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H28N4O.3C24H24N2O3.C23H22F2N4O2/c2*1-18-6-10-22(11-7-18)26-24(29)21-5-3-15-27(17-21)19(2)20-8-12-23(13-9-20)28-16-4-14-25-28;3*1-17-9-11-21(12-10-17)25-23(27)20-7-3-13-26(16-20)24(28)19-6-2-5-18(15-19)22-8-4-14-29-22;1-15-5-7-20(8-6-15)28-21(30)18-10-23(24,25)14-29(13-18)22(31)17-4-2-3-16(9-17)19-11-26-27-12-19/h2*4,6-14,16,19,21H,3,5,15,17H2,1-2H3,(H,26,29);3*2,4-6,8-12,14-15,20H,3,7,13,16H2,1H3,(H,25,27);2-9,11-12,18H,10,13-14H2,1H3,(H,26,27)(H,28,30).
What are the key properties of 5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide)?
5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide) has a molecular weight of 2366.88 g/mol, XLogP of 27.54, 26 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-N-(4-methylphenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide;tris(1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide);bis(N-(4-methylphenyl)-1-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide) is sourced from PubChem (CID 159101688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).