(5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate

C80H79N3O8 — CID 87726084

IUPAC(5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate
SMILESCN1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1.COC(=O)C1CN(Cc2ccccc2)CC(C(=O)OC)C1c1ccccc1.O=C(c1ccccc1)C1CN(Cc2ccccc2)CC(C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C32H29NO2.C26H25NO2.C22H25NO4/c34-31(26-17-9-3-10-18-26)28-22-33(21-24-13-5-1-6-14-24)23-29(30(28)25-15-7-2-8-16-25)32(35)27-19-11-4-12-20-27;1-27-17-22(25(28)20-13-7-3-8-14-20)24(19-11-5-2-6-12-19)23(18-27)26(29)21-15-9-4-10-16-21;1-26-21(24)18-14-23(13-16-9-5-3-6-10-16)15-19(22(25)27-2)20(18)17-11-7-4-8-12-17/h1-20,28-30H,21-23H2;2-16,22-24H,17-18H2,1H3;3-12,18-20H,13-15H2,1-2H3
InChIKeySPHFRNNYZFILGZ-UHFFFAOYSA-N
MW1210.53 g/mol
LogP13.86
Rot. Bonds17

About (5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate

(5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate (PubChem CID 87726084) has the molecular formula C80H79N3O8 and a molecular weight of 1210.53 g/mol. Its IUPAC name is (5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate.

Molecular Properties

Compound Name(5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate
PubChem CID87726084
Molecular FormulaC80H79N3O8
Molecular Weight1210.53 g/mol
Exact Mass1209.59
IUPAC Name(5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate
SMILESCN1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1.COC(=O)C1CN(Cc2ccccc2)CC(C(=O)OC)C1c1ccccc1.O=C(c1ccccc1)C1CN(Cc2ccccc2)CC(C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C32H29NO2.C26H25NO2.C22H25NO4/c34-31(26-17-9-3-10-18-26)28-22-33(21-24-13-5-1-6-14-24)23-29(30(28)25-15-7-2-8-16-25)32(35)27-19-11-4-12-20-27;1-27-17-22(25(28)20-13-7-3-8-14-20)24(19-11-5-2-6-12-19)23(18-27)26(29)21-15-9-4-10-16-21;1-26-21(24)18-14-23(13-16-9-5-3-6-10-16)15-19(22(25)27-2)20(18)17-11-7-4-8-12-17/h1-20,28-30H,21-23H2;2-16,22-24H,17-18H2,1H3;3-12,18-20H,13-15H2,1-2H3
InChIKeySPHFRNNYZFILGZ-UHFFFAOYSA-N
XLogP13.86
TPSA130.60 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001210.53
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze (5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate with MolForge

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Related Compounds

[(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone
CID 40951113
[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
CID 125474288
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid
CID 68879746
methyl 1-benzyl-4-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 68912699
[(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone
CID 90821158
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839
(3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide
CID 92592724
(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
CID 4269490
ethyl 3-[(3S,5R)-3,5-dibenzoyl-4-phenylpiperidin-1-yl]propanoate
CID 68880450
[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone
CID 23267945

Frequently Asked Questions

What is the IUPAC name of (5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate?
The IUPAC name of (5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate (CID 87726084) is (5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate.
What is the SMILES notation for (5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate?
The canonical SMILES for (5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate is CN1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1.COC(=O)C1CN(Cc2ccccc2)CC(C(=O)OC)C1c1ccccc1.O=C(c1ccccc1)C1CN(Cc2ccccc2)CC(C(=O)c2ccccc2)C1c1ccccc1.
What is the InChIKey of (5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate?
The InChIKey is SPHFRNNYZFILGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO2.C26H25NO2.C22H25NO4/c34-31(26-17-9-3-10-18-26)28-22-33(21-24-13-5-1-6-14-24)23-29(30(28)25-15-7-2-8-16-25)32(35)27-19-11-4-12-20-27;1-27-17-22(25(28)20-13-7-3-8-14-20)24(19-11-5-2-6-12-19)23(18-27)26(29)21-15-9-4-10-16-21;1-26-21(24)18-14-23(13-16-9-5-3-6-10-16)15-19(22(25)27-2)20(18)17-11-7-4-8-12-17/h1-20,28-30H,21-23H2;2-16,22-24H,17-18H2,1H3;3-12,18-20H,13-15H2,1-2H3.
What are the key properties of (5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate?
(5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate has a molecular weight of 1210.53 g/mol, XLogP of 13.86, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate is sourced from PubChem (CID 87726084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).