3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one

C19H22ClN3O2 — CID 124944351

IUPAC3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)N1CCOC[C@H]1CCc1cnccn1
InChIInChI=1S/C19H22ClN3O2/c20-16-4-1-15(2-5-16)3-8-19(24)23-11-12-25-14-18(23)7-6-17-13-21-9-10-22-17/h1-2,4-5,9-10,13,18H,3,6-8,11-12,14H2/t18-/m1/s1
InChIKeyBJBKGLPMFZVHBP-GOSISDBHSA-N
MW359.86 g/mol
LogP2.92
Rot. Bonds6

About 3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one

3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one (PubChem CID 124944351) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
PubChem CID124944351
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)N1CCOC[C@H]1CCc1cnccn1
InChIInChI=1S/C19H22ClN3O2/c20-16-4-1-15(2-5-16)3-8-19(24)23-11-12-25-14-18(23)7-6-17-13-21-9-10-22-17/h1-2,4-5,9-10,13,18H,3,6-8,11-12,14H2/t18-/m1/s1
InChIKeyBJBKGLPMFZVHBP-GOSISDBHSA-N
XLogP2.92
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124940868
2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
CID 110132201
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124947820
1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124959044
4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one
CID 124998191
[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrimidin-2-ylmethanone
CID 110132170
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 125021467
[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 110132191
[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124995063
(1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
CID 125013670
1-piperidin-1-yl-2-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
CID 124998042
[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 125018147

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one (CID 124944351) is 3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one is O=C(CCc1ccc(Cl)cc1)N1CCOC[C@H]1CCc1cnccn1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one?
The InChIKey is BJBKGLPMFZVHBP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-16-4-1-15(2-5-16)3-8-19(24)23-11-12-25-14-18(23)7-6-17-13-21-9-10-22-17/h1-2,4-5,9-10,13,18H,3,6-8,11-12,14H2/t18-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one?
3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one has a molecular weight of 359.86 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124944351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).