[(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid

C106H105N19O11 — CID 159978419

IUPAC[(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid
SMILESC[C@@H]1CC[C@@H](C(=O)NC(C(=O)c2ccccc2)c2ccccc2)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](C(=O)NC(c2ccccc2)C(O)c2ccccc2)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)o2)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C30H31N5O3.C30H29N5O3.C30H27N5O2.C16H18N4O3/c2*1-21-16-17-24(20-34(21)30(38)25-14-8-9-15-26(25)35-31-18-19-32-35)29(37)33-27(22-10-4-2-5-11-22)28(36)23-12-6-3-7-13-23;1-21-16-17-24(20-34(21)30(36)25-14-8-9-15-26(25)35-31-18-19-32-35)29-33-27(22-10-4-2-5-11-22)28(37-29)23-12-6-3-7-13-23;1-11-6-7-12(16(22)23)10-19(11)15(21)13-4-2-3-5-14(13)20-17-8-9-18-20/h2-15,18-19,21,24,27-28,36H,16-17,20H2,1H3,(H,33,37);2-15,18-19,21,24,27H,16-17,20H2,1H3,(H,33,37);2-15,18-19,21,24H,16-17,20H2,1H3;2-5,8-9,11-12H,6-7,10H2,1H3,(H,22,23)/t21-,24-,27?,28?;21-,24-,27?;21-,24-;11-,12-/m1111/s1
InChIKeyOFLKPUDPBMTVBI-QARZRPOQSA-N
MW1821.13 g/mol
LogP15.94
Rot. Bonds22

About [(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid

[(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid (PubChem CID 159978419) has the molecular formula C106H105N19O11 and a molecular weight of 1821.13 g/mol. Its IUPAC name is [(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name[(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid
PubChem CID159978419
Molecular FormulaC106H105N19O11
Molecular Weight1821.13 g/mol
Exact Mass1819.82
IUPAC Name[(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid
SMILESC[C@@H]1CC[C@@H](C(=O)NC(C(=O)c2ccccc2)c2ccccc2)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](C(=O)NC(c2ccccc2)C(O)c2ccccc2)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)o2)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C30H31N5O3.C30H29N5O3.C30H27N5O2.C16H18N4O3/c2*1-21-16-17-24(20-34(21)30(38)25-14-8-9-15-26(25)35-31-18-19-32-35)29(37)33-27(22-10-4-2-5-11-22)28(36)23-12-6-3-7-13-23;1-21-16-17-24(20-34(21)30(36)25-14-8-9-15-26(25)35-31-18-19-32-35)29-33-27(22-10-4-2-5-11-22)28(37-29)23-12-6-3-7-13-23;1-11-6-7-12(16(22)23)10-19(11)15(21)13-4-2-3-5-14(13)20-17-8-9-18-20/h2-15,18-19,21,24,27-28,36H,16-17,20H2,1H3,(H,33,37);2-15,18-19,21,24,27H,16-17,20H2,1H3,(H,33,37);2-15,18-19,21,24H,16-17,20H2,1H3;2-5,8-9,11-12H,6-7,10H2,1H3,(H,22,23)/t21-,24-,27?,28?;21-,24-,27?;21-,24-;11-,12-/m1111/s1
InChIKeyOFLKPUDPBMTVBI-QARZRPOQSA-N
XLogP15.94
TPSA362.91 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001821.13
LogP ≤ 515.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze [(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of [(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid (CID 159978419) is [(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for [(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for [(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid is C[C@@H]1CC[C@@H](C(=O)NC(C(=O)c2ccccc2)c2ccccc2)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](C(=O)NC(c2ccccc2)C(O)c2ccccc2)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)o2)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is OFLKPUDPBMTVBI-QARZRPOQSA-N. The full InChI is InChI=1S/C30H31N5O3.C30H29N5O3.C30H27N5O2.C16H18N4O3/c2*1-21-16-17-24(20-34(21)30(38)25-14-8-9-15-26(25)35-31-18-19-32-35)29(37)33-27(22-10-4-2-5-11-22)28(36)23-12-6-3-7-13-23;1-21-16-17-24(20-34(21)30(36)25-14-8-9-15-26(25)35-31-18-19-32-35)29-33-27(22-10-4-2-5-11-22)28(37-29)23-12-6-3-7-13-23;1-11-6-7-12(16(22)23)10-19(11)15(21)13-4-2-3-5-14(13)20-17-8-9-18-20/h2-15,18-19,21,24,27-28,36H,16-17,20H2,1H3,(H,33,37);2-15,18-19,21,24,27H,16-17,20H2,1H3,(H,33,37);2-15,18-19,21,24H,16-17,20H2,1H3;2-5,8-9,11-12H,6-7,10H2,1H3,(H,22,23)/t21-,24-,27?,28?;21-,24-,27?;21-,24-;11-,12-/m1111/s1.
What are the key properties of [(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid?
[(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid has a molecular weight of 1821.13 g/mol, XLogP of 15.94, 22 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3R,6R)-N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-N-(2-oxo-1,2-diphenylethyl)-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide;(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 159978419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).