ethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide

C70H77N11O8 — CID 159136208

IUPACethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide
SMILESCCOC(=O)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)nc1.CCOC(=O)c1cnc(CC2(c3ccccc3)CCNCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)nc1
InChIInChI=1S/C26H28N4O3.C25H26N4O3.C19H23N3O2/c1-2-33-24(31)20-18-27-23(28-19-20)17-26(21-9-5-3-6-10-21)13-15-30(16-14-26)25(32)29-22-11-7-4-8-12-22;30-18-22(31)19-16-26-23(27-17-19)15-25(20-7-3-1-4-8-20)11-13-29(14-12-25)24(32)28-21-9-5-2-6-10-21;1-2-24-18(23)15-13-21-17(22-14-15)12-19(8-10-20-11-9-19)16-6-4-3-5-7-16/h3-12,18-19H,2,13-17H2,1H3,(H,29,32);1-10,16-17,30H,11-15,18H2,(H,28,32);3-7,13-14,20H,2,8-12H2,1H3
InChIKeyKHNHYIXWLCFFBX-UHFFFAOYSA-N
MW1200.45 g/mol
LogP10.44
Rot. Bonds17

About ethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide

ethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide (PubChem CID 159136208) has the molecular formula C70H77N11O8 and a molecular weight of 1200.45 g/mol. Its IUPAC name is ethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide.

Molecular Properties

Compound Nameethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide
PubChem CID159136208
Molecular FormulaC70H77N11O8
Molecular Weight1200.45 g/mol
Exact Mass1199.60
IUPAC Nameethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide
SMILESCCOC(=O)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)nc1.CCOC(=O)c1cnc(CC2(c3ccccc3)CCNCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)nc1
InChIInChI=1S/C26H28N4O3.C25H26N4O3.C19H23N3O2/c1-2-33-24(31)20-18-27-23(28-19-20)17-26(21-9-5-3-6-10-21)13-15-30(16-14-26)25(32)29-22-11-7-4-8-12-22;30-18-22(31)19-16-26-23(27-17-19)15-25(20-7-3-1-4-8-20)11-13-29(14-12-25)24(32)28-21-9-5-2-6-10-21;1-2-24-18(23)15-13-21-17(22-14-15)12-19(8-10-20-11-9-19)16-6-4-3-5-7-16/h3-12,18-19H,2,13-17H2,1H3,(H,29,32);1-10,16-17,30H,11-15,18H2,(H,28,32);3-7,13-14,20H,2,8-12H2,1H3
InChIKeyKHNHYIXWLCFFBX-UHFFFAOYSA-N
XLogP10.44
TPSA243.95 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001200.45
LogP ≤ 510.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze ethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide with MolForge

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Related Compounds

Ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-hydroxy-1-[2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone
CID 158793204
1-[2-[(4,4-Difluoro-1-phenylcyclohexyl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;ethyl 2-[(4,4-difluoro-1-phenylcyclohexyl)methyl]pyrimidine-5-carboxylate
CID 161545286
4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide
CID 146689611
Benzyl 4-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxylate;ethyl 2-[(4-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate
CID 157117287
N-(2-amino-5-phenylphenyl)-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;tert-butyl N-[2-[[2-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbonyl]amino]-4-phenylphenyl]carbamate;ethyl 2-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carboxylate;1-methylpiperidin-4-amine;2-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carboxylic acid
CID 157258184
Ethyl 2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;2-hydroxy-1-[2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone
CID 157305466
1-[2-[[1-(Benzenesulfonyl)-4-phenylpiperidin-4-yl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;ethyl 2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate
CID 157365194
tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(2-anilino-5-carbamoylpyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-(methylamino)cyclohexyl]carbamate;2-chloro-4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrimidine-5-carboxylate;4-N-methylcyclohexane-1,4-diamine
CID 157642328
ethyl 2-[[1-[2-(1H-indol-2-yl)acetyl]-4-phenylpiperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidin-1-yl]-2-(1H-indol-2-yl)ethanone
CID 157724383
sodium;aniline;ethanol;ethyl 2-anilinopyrimidine-5-carboxylate;ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(N-phenylanilino)pyrimidine-5-carboxylate;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide;iodobenzene;methyl 7-aminoheptanoate;methyl 7-[[2-(N-phenylanilino)pyrimidine-5-carbonyl]amino]heptanoate;2-(N-phenylanilino)pyrimidine-5-carboxylic acid;hydroxide
CID 157759588
Benzyl 4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-propan-2-ylpiperidine-1-carboxylate;ethyl 2-[(1-phenylmethoxycarbonyl-4-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-propan-2-ylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate
CID 158084452
tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one
CID 158097860

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide?
The IUPAC name of ethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide (CID 159136208) is ethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide.
What is the SMILES notation for ethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide?
The canonical SMILES for ethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide is CCOC(=O)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)nc1.CCOC(=O)c1cnc(CC2(c3ccccc3)CCNCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)nc1.
What is the InChIKey of ethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide?
The InChIKey is KHNHYIXWLCFFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3.C25H26N4O3.C19H23N3O2/c1-2-33-24(31)20-18-27-23(28-19-20)17-26(21-9-5-3-6-10-21)13-15-30(16-14-26)25(32)29-22-11-7-4-8-12-22;30-18-22(31)19-16-26-23(27-17-19)15-25(20-7-3-1-4-8-20)11-13-29(14-12-25)24(32)28-21-9-5-2-6-10-21;1-2-24-18(23)15-13-21-17(22-14-15)12-19(8-10-20-11-9-19)16-6-4-3-5-7-16/h3-12,18-19H,2,13-17H2,1H3,(H,29,32);1-10,16-17,30H,11-15,18H2,(H,28,32);3-7,13-14,20H,2,8-12H2,1H3.
What are the key properties of ethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide?
ethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide has a molecular weight of 1200.45 g/mol, XLogP of 10.44, 17 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide is sourced from PubChem (CID 159136208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).