[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone

C20H30N2O4 — CID 134704146

IUPAC[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
SMILESCOCCN1CCC(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)CC1
InChIInChI=1S/C20H30N2O4/c1-25-13-11-21-9-7-17(8-10-21)20(24)22-12-14-26-18(15-23)19(22)16-5-3-2-4-6-16/h2-6,17-19,23H,7-15H2,1H3/t18-,19-/m1/s1
InChIKeyOMZFQDZXEWPWSL-RTBURBONSA-N
MW362.47 g/mol
LogP1.31
Rot. Bonds6

About [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone

[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone (PubChem CID 134704146) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
PubChem CID134704146
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
SMILESCOCCN1CCC(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)CC1
InChIInChI=1S/C20H30N2O4/c1-25-13-11-21-9-7-17(8-10-21)20(24)22-12-14-26-18(15-23)19(22)16-5-3-2-4-6-16/h2-6,17-19,23H,7-15H2,1H3/t18-,19-/m1/s1
InChIKeyOMZFQDZXEWPWSL-RTBURBONSA-N
XLogP1.31
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone
CID 154818944
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 134710467
1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 134708065
(4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505780
cyclopentyl-[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]methanone
CID 134712153
2-[cyclopentyl(methyl)amino]-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone
CID 134704253
N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide
CID 134695894
(2,6-dimethyl-3-pyridinyl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 134712913
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 134711695
N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide
CID 134705614
N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 134698892
3-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]-1,1-dimethylurea
CID 134714041

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
The IUPAC name of [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone (CID 134704146) is [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
The canonical SMILES for [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone is COCCN1CCC(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)CC1.
What is the InChIKey of [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
The InChIKey is OMZFQDZXEWPWSL-RTBURBONSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-25-13-11-21-9-7-17(8-10-21)20(24)22-12-14-26-18(15-23)19(22)16-5-3-2-4-6-16/h2-6,17-19,23H,7-15H2,1H3/t18-,19-/m1/s1.
What are the key properties of [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone has a molecular weight of 362.47 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 134704146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).