(5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one

C23H26N2O3 — CID 94582684

IUPAC(5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one
SMILESO=C([C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)N1CCOCC1
InChIInChI=1S/C23H26N2O3/c26-21-12-11-20(23(27)24-13-15-28-16-14-24)22(19-9-5-2-6-10-19)25(21)17-18-7-3-1-4-8-18/h1-10,20,22H,11-17H2/t20-,22+/m1/s1
InChIKeyUARRCCIEUJJBDE-IRLDBZIGSA-N
MW378.47 g/mol
LogP3.03
Rot. Bonds4

About (5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one

(5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one (PubChem CID 94582684) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one
PubChem CID94582684
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one
SMILESO=C([C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)N1CCOCC1
InChIInChI=1S/C23H26N2O3/c26-21-12-11-20(23(27)24-13-15-28-16-14-24)22(19-9-5-2-6-10-19)25(21)17-18-7-3-1-4-8-18/h1-10,20,22H,11-17H2/t20-,22+/m1/s1
InChIKeyUARRCCIEUJJBDE-IRLDBZIGSA-N
XLogP3.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one?
The IUPAC name of (5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one (CID 94582684) is (5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one.
What is the SMILES notation for (5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one?
The canonical SMILES for (5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one is O=C([C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)N1CCOCC1.
What is the InChIKey of (5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one?
The InChIKey is UARRCCIEUJJBDE-IRLDBZIGSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-21-12-11-20(23(27)24-13-15-28-16-14-24)22(19-9-5-2-6-10-19)25(21)17-18-7-3-1-4-8-18/h1-10,20,22H,11-17H2/t20-,22+/m1/s1.
What are the key properties of (5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one?
(5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one is sourced from PubChem (CID 94582684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).