(3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide

C25H35N3O3 — CID 54584590

IUPAC(3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
SMILESCC[C@@H]1C[C@@H](C(=O)NCC2CCOCC2)CN(Cc2nc(-c3ccccc3)oc2C)C1
InChIInChI=1S/C25H35N3O3/c1-3-19-13-22(24(29)26-14-20-9-11-30-12-10-20)16-28(15-19)17-23-18(2)31-25(27-23)21-7-5-4-6-8-21/h4-8,19-20,22H,3,9-17H2,1-2H3,(H,26,29)/t19-,22-/m1/s1
InChIKeyTZTZUIQXHKAHBD-DENIHFKCSA-N
MW425.57 g/mol
LogP4.04
Rot. Bonds7

About (3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide

(3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 54584590) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is (3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
PubChem CID54584590
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name(3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
SMILESCC[C@@H]1C[C@@H](C(=O)NCC2CCOCC2)CN(Cc2nc(-c3ccccc3)oc2C)C1
InChIInChI=1S/C25H35N3O3/c1-3-19-13-22(24(29)26-14-20-9-11-30-12-10-20)16-28(15-19)17-23-18(2)31-25(27-23)21-7-5-4-6-8-21/h4-8,19-20,22H,3,9-17H2,1-2H3,(H,26,29)/t19-,22-/m1/s1
InChIKeyTZTZUIQXHKAHBD-DENIHFKCSA-N
XLogP4.04
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide (CID 54584590) is (3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide is CC[C@@H]1C[C@@H](C(=O)NCC2CCOCC2)CN(Cc2nc(-c3ccccc3)oc2C)C1.
What is the InChIKey of (3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is TZTZUIQXHKAHBD-DENIHFKCSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-3-19-13-22(24(29)26-14-20-9-11-30-12-10-20)16-28(15-19)17-23-18(2)31-25(27-23)21-7-5-4-6-8-21/h4-8,19-20,22H,3,9-17H2,1-2H3,(H,26,29)/t19-,22-/m1/s1.
What are the key properties of (3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide?
(3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 425.57 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 54584590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).