N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide

C96H102F2N16O12 — CID 158253549

IUPACN-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(Cc2ncc(C(=O)CO)cn2)(c2ccccc2)CC1.Cc1ccc(NC(=O)N2CCC(Cc3ncc(C(=O)CO)cn3)(c3ccccc3)CC2)cc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3cccc(F)c3)CC2)nc1
InChIInChI=1S/C26H28N4O3.2C25H25FN4O3.C20H24N4O3/c1-19-7-9-22(10-8-19)29-25(33)30-13-11-26(12-14-30,21-5-3-2-4-6-21)15-24-27-16-20(17-28-24)23(32)18-31;26-20-7-4-8-21(13-20)29-24(33)30-11-9-25(10-12-30,19-5-2-1-3-6-19)14-23-27-15-18(16-28-23)22(32)17-31;26-20-6-8-21(9-7-20)29-24(33)30-12-10-25(11-13-30,19-4-2-1-3-5-19)14-23-27-15-18(16-28-23)22(32)17-31;1-21-19(27)24-9-7-20(8-10-24,16-5-3-2-4-6-16)11-18-22-12-15(13-23-18)17(26)14-25/h2-10,16-17,31H,11-15,18H2,1H3,(H,29,33);1-8,13,15-16,31H,9-12,14,17H2,(H,29,33);1-9,15-16,31H,10-14,17H2,(H,29,33);2-6,12-13,25H,7-11,14H2,1H3,(H,21,27)
InChIKeyGGZRYZLXTDRGNJ-UHFFFAOYSA-N
MW1709.97 g/mol
LogP12.53
Rot. Bonds23

About N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide

N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide (PubChem CID 158253549) has the molecular formula C96H102F2N16O12 and a molecular weight of 1709.97 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide
PubChem CID158253549
Molecular FormulaC96H102F2N16O12
Molecular Weight1709.97 g/mol
Exact Mass1708.78
IUPAC NameN-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(Cc2ncc(C(=O)CO)cn2)(c2ccccc2)CC1.Cc1ccc(NC(=O)N2CCC(Cc3ncc(C(=O)CO)cn3)(c3ccccc3)CC2)cc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3cccc(F)c3)CC2)nc1
InChIInChI=1S/C26H28N4O3.2C25H25FN4O3.C20H24N4O3/c1-19-7-9-22(10-8-19)29-25(33)30-13-11-26(12-14-30,21-5-3-2-4-6-21)15-24-27-16-20(17-28-24)23(32)18-31;26-20-7-4-8-21(13-20)29-24(33)30-11-9-25(10-12-30,19-5-2-1-3-6-19)14-23-27-15-18(16-28-23)22(32)17-31;26-20-6-8-21(9-7-20)29-24(33)30-12-10-25(11-13-30,19-4-2-1-3-5-19)14-23-27-15-18(16-28-23)22(32)17-31;1-21-19(27)24-9-7-20(8-10-24,16-5-3-2-4-6-16)11-18-22-12-15(13-23-18)17(26)14-25/h2-10,16-17,31H,11-15,18H2,1H3,(H,29,33);1-8,13,15-16,31H,9-12,14,17H2,(H,29,33);1-9,15-16,31H,10-14,17H2,(H,29,33);2-6,12-13,25H,7-11,14H2,1H3,(H,21,27)
InChIKeyGGZRYZLXTDRGNJ-UHFFFAOYSA-N
XLogP12.53
TPSA381.68 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001709.97
LogP ≤ 512.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide with MolForge

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Related Compounds

N-(2,6-difluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide
CID 149537529
2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxo-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-5-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 157055368
N-ethoxy-8-(4-ethylphenyl)-2-[4-[1-(3-hydroxypropyl)piperidin-4-yl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-2-[4-[1-(3-hydroxypropyl)piperidin-4-yl]anilino]-5-oxo-N-propan-2-yloxypyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 157511186
N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide
CID 158253550
N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide
CID 158253551
N-(2-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide
CID 159172195
1-[2-[2-(2,4-Difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone
CID 159232538
1-[2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;N-(2,6-difluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;2-hydroxy-1-[2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone
CID 160343102
8-(4,4-dimethylcyclohexyl)-2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4,4-dimethylcyclohexyl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxo-8-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 161854461
4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide
CID 146689611
1-[[1-[5-(2-Hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-3-(4-phenylphenyl)urea
CID 157201076
2-amino-1-[2-[[1-(4-piperidin-1-ylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[[1-(4-piperidin-1-ylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethyl]acetamide
CID 157268096

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide (CID 158253549) is N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide is CNC(=O)N1CCC(Cc2ncc(C(=O)CO)cn2)(c2ccccc2)CC1.Cc1ccc(NC(=O)N2CCC(Cc3ncc(C(=O)CO)cn3)(c3ccccc3)CC2)cc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3cccc(F)c3)CC2)nc1.
What is the InChIKey of N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide?
The InChIKey is GGZRYZLXTDRGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3.2C25H25FN4O3.C20H24N4O3/c1-19-7-9-22(10-8-19)29-25(33)30-13-11-26(12-14-30,21-5-3-2-4-6-21)15-24-27-16-20(17-28-24)23(32)18-31;26-20-7-4-8-21(13-20)29-24(33)30-11-9-25(10-12-30,19-5-2-1-3-6-19)14-23-27-15-18(16-28-23)22(32)17-31;26-20-6-8-21(9-7-20)29-24(33)30-12-10-25(11-13-30,19-4-2-1-3-5-19)14-23-27-15-18(16-28-23)22(32)17-31;1-21-19(27)24-9-7-20(8-10-24,16-5-3-2-4-6-16)11-18-22-12-15(13-23-18)17(26)14-25/h2-10,16-17,31H,11-15,18H2,1H3,(H,29,33);1-8,13,15-16,31H,9-12,14,17H2,(H,29,33);1-9,15-16,31H,10-14,17H2,(H,29,33);2-6,12-13,25H,7-11,14H2,1H3,(H,21,27).
What are the key properties of N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide?
N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide has a molecular weight of 1709.97 g/mol, XLogP of 12.53, 23 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;N-(4-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-(4-methylphenyl)-4-phenylpiperidine-1-carboxamide;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N-methyl-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 158253549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).