[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone

C20H28N4O3 — CID 155496283

IUPAC[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1
InChIInChI=1S/C20H28N4O3/c1-5-26-17-8-6-7-15(11-17)20(25)24-9-10-27-18(14-22(2)3)19(24)16-12-21-23(4)13-16/h6-8,11-13,18-19H,5,9-10,14H2,1-4H3/t18-,19-/m0/s1
InChIKeyMTFWVSDJDIVEIH-OALUTQOASA-N
MW372.47 g/mol
LogP1.96
Rot. Bonds6

About [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone

[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone (PubChem CID 155496283) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone
PubChem CID155496283
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1
InChIInChI=1S/C20H28N4O3/c1-5-26-17-8-6-7-15(11-17)20(25)24-9-10-27-18(14-22(2)3)19(24)16-12-21-23(4)13-16/h6-8,11-13,18-19H,5,9-10,14H2,1-4H3/t18-,19-/m0/s1
InChIKeyMTFWVSDJDIVEIH-OALUTQOASA-N
XLogP1.96
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(3-methoxyphenyl)ethanone
CID 155508976
1,3-dihydro-2-benzofuran-4-yl-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 157015556
(2-chloro-5-methylphenyl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 155508291
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 155504668
1-benzothiophen-2-yl-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 155501916
3-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]benzonitrile
CID 155502193
2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]chromen-4-one
CID 155508575
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone
CID 155504675
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-pyrazol-1-ylbutan-1-one
CID 155507836
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone
CID 155495084
[2-(2-aminoethoxy)-5-methylphenyl]-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone;dihydrochloride
CID 155938824
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 155494473

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone?
The IUPAC name of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone (CID 155496283) is [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone.
What is the SMILES notation for [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone?
The canonical SMILES for [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone is CCOc1cccc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1.
What is the InChIKey of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone?
The InChIKey is MTFWVSDJDIVEIH-OALUTQOASA-N. The full InChI is InChI=1S/C20H28N4O3/c1-5-26-17-8-6-7-15(11-17)20(25)24-9-10-27-18(14-22(2)3)19(24)16-12-21-23(4)13-16/h6-8,11-13,18-19H,5,9-10,14H2,1-4H3/t18-,19-/m0/s1.
What are the key properties of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone?
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone has a molecular weight of 372.47 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone is sourced from PubChem (CID 155496283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).