2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide

C71H78F3N9O3 — CID 118555516

IUPAC2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCC(F)(c3ncccc3C)CC2)cc1.Cc1cccnc1C1(F)CCN(C(N)=O)C(c2ccc(-c3ccccc3)cc2)C1.Cc1cccnc1C1(F)CCN(C(N)=O)C(c2ccc(Cc3ccccc3)cc2)C1
InChIInChI=1S/C25H26FN3O.C24H24FN3O.C22H28FN3O/c1-18-6-5-14-28-23(18)25(26)13-15-29(24(27)30)22(17-25)21-11-9-20(10-12-21)16-19-7-3-2-4-8-19;1-17-6-5-14-27-22(17)24(25)13-15-28(23(26)29)21(16-24)20-11-9-19(10-12-20)18-7-3-2-4-8-18;1-3-4-7-18-8-10-19(11-9-18)25-21(27)26-15-12-22(23,13-16-26)20-17(2)6-5-14-24-20/h2-12,14,22H,13,15-17H2,1H3,(H2,27,30);2-12,14,21H,13,15-16H2,1H3,(H2,26,29);5-6,8-11,14H,3-4,7,12-13,15-16H2,1-2H3,(H,25,27)
InChIKeyRBAGFWCFDMHDMK-UHFFFAOYSA-N
MW1162.46 g/mol
LogP15.42
Rot. Bonds12

About 2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide

2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide (PubChem CID 118555516) has the molecular formula C71H78F3N9O3 and a molecular weight of 1162.46 g/mol. Its IUPAC name is 2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide
PubChem CID118555516
Molecular FormulaC71H78F3N9O3
Molecular Weight1162.46 g/mol
Exact Mass1161.62
IUPAC Name2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCC(F)(c3ncccc3C)CC2)cc1.Cc1cccnc1C1(F)CCN(C(N)=O)C(c2ccc(-c3ccccc3)cc2)C1.Cc1cccnc1C1(F)CCN(C(N)=O)C(c2ccc(Cc3ccccc3)cc2)C1
InChIInChI=1S/C25H26FN3O.C24H24FN3O.C22H28FN3O/c1-18-6-5-14-28-23(18)25(26)13-15-29(24(27)30)22(17-25)21-11-9-20(10-12-21)16-19-7-3-2-4-8-19;1-17-6-5-14-27-22(17)24(25)13-15-28(23(26)29)21(16-24)20-11-9-19(10-12-20)18-7-3-2-4-8-18;1-3-4-7-18-8-10-19(11-9-18)25-21(27)26-15-12-22(23,13-16-26)20-17(2)6-5-14-24-20/h2-12,14,22H,13,15-17H2,1H3,(H2,27,30);2-12,14,21H,13,15-16H2,1H3,(H2,26,29);5-6,8-11,14H,3-4,7,12-13,15-16H2,1-2H3,(H,25,27)
InChIKeyRBAGFWCFDMHDMK-UHFFFAOYSA-N
XLogP15.42
TPSA163.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001162.46
LogP ≤ 515.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide?
The IUPAC name of 2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide (CID 118555516) is 2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide is CCCCc1ccc(NC(=O)N2CCC(F)(c3ncccc3C)CC2)cc1.Cc1cccnc1C1(F)CCN(C(N)=O)C(c2ccc(-c3ccccc3)cc2)C1.Cc1cccnc1C1(F)CCN(C(N)=O)C(c2ccc(Cc3ccccc3)cc2)C1.
What is the InChIKey of 2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide?
The InChIKey is RBAGFWCFDMHDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O.C24H24FN3O.C22H28FN3O/c1-18-6-5-14-28-23(18)25(26)13-15-29(24(27)30)22(17-25)21-11-9-20(10-12-21)16-19-7-3-2-4-8-19;1-17-6-5-14-27-22(17)24(25)13-15-28(23(26)29)21(16-24)20-11-9-19(10-12-20)18-7-3-2-4-8-18;1-3-4-7-18-8-10-19(11-9-18)25-21(27)26-15-12-22(23,13-16-26)20-17(2)6-5-14-24-20/h2-12,14,22H,13,15-17H2,1H3,(H2,27,30);2-12,14,21H,13,15-16H2,1H3,(H2,26,29);5-6,8-11,14H,3-4,7,12-13,15-16H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide?
2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide has a molecular weight of 1162.46 g/mol, XLogP of 15.42, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;N-(4-butylphenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-2-(4-phenylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 118555516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).