(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide

C27H30N6O3 — CID 54586503

IUPAC(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)[C@@H]2C[C@@H](c3nc(C)no3)CN(Cc3nc(-c4ccccc4)oc3C)C2)n1
InChIInChI=1S/C27H30N6O3/c1-17-8-7-11-23(29-17)13-28-25(34)21-12-22(27-30-19(3)32-36-27)15-33(14-21)16-24-18(2)35-26(31-24)20-9-5-4-6-10-20/h4-11,21-22H,12-16H2,1-3H3,(H,28,34)/t21-,22-/m1/s1
InChIKeyHNAYSIZFEZUKEC-FGZHOGPDSA-N
MW486.58 g/mol
LogP3.97
Rot. Bonds7

About (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide

(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 54586503) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
PubChem CID54586503
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)[C@@H]2C[C@@H](c3nc(C)no3)CN(Cc3nc(-c4ccccc4)oc3C)C2)n1
InChIInChI=1S/C27H30N6O3/c1-17-8-7-11-23(29-17)13-28-25(34)21-12-22(27-30-19(3)32-36-27)15-33(14-21)16-24-18(2)35-26(31-24)20-9-5-4-6-10-20/h4-11,21-22H,12-16H2,1-3H3,(H,28,34)/t21-,22-/m1/s1
InChIKeyHNAYSIZFEZUKEC-FGZHOGPDSA-N
XLogP3.97
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide (CID 54586503) is (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide is Cc1cccc(CNC(=O)[C@@H]2C[C@@H](c3nc(C)no3)CN(Cc3nc(-c4ccccc4)oc3C)C2)n1.
What is the InChIKey of (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
The InChIKey is HNAYSIZFEZUKEC-FGZHOGPDSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-17-8-7-11-23(29-17)13-28-25(34)21-12-22(27-30-19(3)32-36-27)15-33(14-21)16-24-18(2)35-26(31-24)20-9-5-4-6-10-20/h4-11,21-22H,12-16H2,1-3H3,(H,28,34)/t21-,22-/m1/s1.
What are the key properties of (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 54586503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).