(5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one

C18H22F2N2O4 — CID 136581023

IUPAC(5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one
SMILESO=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCC(O)(C(F)F)CC1
InChIInChI=1S/C18H22F2N2O4/c19-17(20)18(25)6-8-21(9-7-18)16(24)14-11-26-12-15(23)22(14)10-13-4-2-1-3-5-13/h1-5,14,17,25H,6-12H2/t14-/m1/s1
InChIKeyBLAOYOFDSYLMLI-CQSZACIVSA-N
MW368.38 g/mol
LogP1.03
Rot. Bonds4

About (5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one

(5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one (PubChem CID 136581023) has the molecular formula C18H22F2N2O4 and a molecular weight of 368.38 g/mol. Its IUPAC name is (5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one.

Molecular Properties

Compound Name(5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one
PubChem CID136581023
Molecular FormulaC18H22F2N2O4
Molecular Weight368.38 g/mol
Exact Mass368.15
IUPAC Name(5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one
SMILESO=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCC(O)(C(F)F)CC1
InChIInChI=1S/C18H22F2N2O4/c19-17(20)18(25)6-8-21(9-7-18)16(24)14-11-26-12-15(23)22(14)10-13-4-2-1-3-5-13/h1-5,14,17,25H,6-12H2/t14-/m1/s1
InChIKeyBLAOYOFDSYLMLI-CQSZACIVSA-N
XLogP1.03
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one?
The IUPAC name of (5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one (CID 136581023) is (5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one.
What is the SMILES notation for (5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one?
The canonical SMILES for (5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one is O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCC(O)(C(F)F)CC1.
What is the InChIKey of (5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one?
The InChIKey is BLAOYOFDSYLMLI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22F2N2O4/c19-17(20)18(25)6-8-21(9-7-18)16(24)14-11-26-12-15(23)22(14)10-13-4-2-1-3-5-13/h1-5,14,17,25H,6-12H2/t14-/m1/s1.
What are the key properties of (5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one?
(5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one has a molecular weight of 368.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one is sourced from PubChem (CID 136581023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).