[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone

C17H22ClNO3 — CID 124961439

IUPAC[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCO[C@H](Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H22ClNO3/c18-15-3-1-2-13(10-15)11-16-12-19(6-9-22-16)17(20)14-4-7-21-8-5-14/h1-3,10,14,16H,4-9,11-12H2/t16-/m1/s1
InChIKeyHBNVPRBBMPFOAL-MRXNPFEDSA-N
MW323.82 g/mol
LogP2.54
Rot. Bonds3

About [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone

[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone (PubChem CID 124961439) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone
PubChem CID124961439
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCO[C@H](Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H22ClNO3/c18-15-3-1-2-13(10-15)11-16-12-19(6-9-22-16)17(20)14-4-7-21-8-5-14/h1-3,10,14,16H,4-9,11-12H2/t16-/m1/s1
InChIKeyHBNVPRBBMPFOAL-MRXNPFEDSA-N
XLogP2.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
[2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 102604264
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301
[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124993426
[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]-cyclopentylmethanone
CID 95123744
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
(2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120641337
2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone
CID 62906043
3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 97134086
[1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 50807615
[1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 42869813
(2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone
CID 168940338

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone (CID 124961439) is [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCO[C@H](Cc2cccc(Cl)c2)C1.
What is the InChIKey of [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone?
The InChIKey is HBNVPRBBMPFOAL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22ClNO3/c18-15-3-1-2-13(10-15)11-16-12-19(6-9-22-16)17(20)14-4-7-21-8-5-14/h1-3,10,14,16H,4-9,11-12H2/t16-/m1/s1.
What are the key properties of [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone?
[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone has a molecular weight of 323.82 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 124961439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).