N-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide

C71H78F3N9O3 — CID 118555515

IUPACN-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCC(F)(c3ncccc3C)CC2)cc1.Cc1cccnc1C1(F)CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1.Cc1cccnc1C1(F)CCN(C(=O)Nc2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C25H26FN3O.C24H24FN3O.C22H28FN3O/c1-19-6-5-15-27-23(19)25(26)13-16-29(17-14-25)24(30)28-22-11-9-21(10-12-22)18-20-7-3-2-4-8-20;1-18-6-5-15-26-22(18)24(25)13-16-28(17-14-24)23(29)27-21-11-9-20(10-12-21)19-7-3-2-4-8-19;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/h2-12,15H,13-14,16-18H2,1H3,(H,28,30);2-12,15H,13-14,16-17H2,1H3,(H,27,29);5-6,8-11,14H,3-4,7,12-13,15-16H2,1-2H3,(H,25,27)
InChIKeyMEVZKAZNTXPLEA-UHFFFAOYSA-N
MW1162.46 g/mol
LogP16.25
Rot. Bonds12

About N-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide

N-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide (PubChem CID 118555515) has the molecular formula C71H78F3N9O3 and a molecular weight of 1162.46 g/mol. Its IUPAC name is N-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide
PubChem CID118555515
Molecular FormulaC71H78F3N9O3
Molecular Weight1162.46 g/mol
Exact Mass1161.62
IUPAC NameN-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCC(F)(c3ncccc3C)CC2)cc1.Cc1cccnc1C1(F)CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1.Cc1cccnc1C1(F)CCN(C(=O)Nc2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C25H26FN3O.C24H24FN3O.C22H28FN3O/c1-19-6-5-15-27-23(19)25(26)13-16-29(17-14-25)24(30)28-22-11-9-21(10-12-22)18-20-7-3-2-4-8-20;1-18-6-5-15-26-22(18)24(25)13-16-28(17-14-24)23(29)27-21-11-9-20(10-12-21)19-7-3-2-4-8-19;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/h2-12,15H,13-14,16-18H2,1H3,(H,28,30);2-12,15H,13-14,16-17H2,1H3,(H,27,29);5-6,8-11,14H,3-4,7,12-13,15-16H2,1-2H3,(H,25,27)
InChIKeyMEVZKAZNTXPLEA-UHFFFAOYSA-N
XLogP16.25
TPSA135.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001162.46
LogP ≤ 516.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide?
The IUPAC name of N-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide (CID 118555515) is N-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide is CCCCc1ccc(NC(=O)N2CCC(F)(c3ncccc3C)CC2)cc1.Cc1cccnc1C1(F)CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1.Cc1cccnc1C1(F)CCN(C(=O)Nc2ccc(Cc3ccccc3)cc2)CC1.
What is the InChIKey of N-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide?
The InChIKey is MEVZKAZNTXPLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O.C24H24FN3O.C22H28FN3O/c1-19-6-5-15-27-23(19)25(26)13-16-29(17-14-25)24(30)28-22-11-9-21(10-12-22)18-20-7-3-2-4-8-20;1-18-6-5-15-26-22(18)24(25)13-16-28(17-14-24)23(29)27-21-11-9-20(10-12-21)19-7-3-2-4-8-19;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/h2-12,15H,13-14,16-18H2,1H3,(H,28,30);2-12,15H,13-14,16-17H2,1H3,(H,27,29);5-6,8-11,14H,3-4,7,12-13,15-16H2,1-2H3,(H,25,27).
What are the key properties of N-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide?
N-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide has a molecular weight of 1162.46 g/mol, XLogP of 16.25, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(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)-N-(4-phenylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 118555515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).