1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one

C18H18Cl2N2O2 — CID 95180794

IUPAC1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H18Cl2N2O2/c19-15-3-2-14(11-16(15)20)17-12-22(9-10-24-17)18(23)4-1-13-5-7-21-8-6-13/h2-3,5-8,11,17H,1,4,9-10,12H2/t17-/m0/s1
InChIKeyLGBLDEPSAHMEHB-KRWDZBQOSA-N
MW365.26 g/mol
LogP3.92
Rot. Bonds4

About 1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one

1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 95180794) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID95180794
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H18Cl2N2O2/c19-15-3-2-14(11-16(15)20)17-12-22(9-10-24-17)18(23)4-1-13-5-7-21-8-6-13/h2-3,5-8,11,17H,1,4,9-10,12H2/t17-/m0/s1
InChIKeyLGBLDEPSAHMEHB-KRWDZBQOSA-N
XLogP3.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174623
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174624
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
CID 120562102
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 56743980
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 95180594
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364311
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone
CID 56749922
1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124986253
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate
CID 78927221
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303
2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
CID 110364326

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one (CID 95180794) is 1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one is O=C(CCc1ccncc1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is LGBLDEPSAHMEHB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c19-15-3-2-14(11-16(15)20)17-12-22(9-10-24-17)18(23)4-1-13-5-7-21-8-6-13/h2-3,5-8,11,17H,1,4,9-10,12H2/t17-/m0/s1.
What are the key properties of 1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 365.26 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 95180794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).