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

C23H27N3O4 — CID 134710467

IUPAC[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccccn1)N1CCC(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)CC1
InChIInChI=1S/C23H27N3O4/c27-16-20-21(17-6-2-1-3-7-17)26(14-15-30-20)22(28)18-9-12-25(13-10-18)23(29)19-8-4-5-11-24-19/h1-8,11,18,20-21,27H,9-10,12-16H2/t20-,21-/m1/s1
InChIKeyZXNLQOSDJPRAJW-NHCUHLMSSA-N
MW409.49 g/mol
LogP1.89
Rot. Bonds4

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

[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 134710467) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
PubChem CID134710467
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccccn1)N1CCC(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)CC1
InChIInChI=1S/C23H27N3O4/c27-16-20-21(17-6-2-1-3-7-17)26(14-15-30-20)22(28)18-9-12-25(13-10-18)23(29)19-8-4-5-11-24-19/h1-8,11,18,20-21,27H,9-10,12-16H2/t20-,21-/m1/s1
InChIKeyZXNLQOSDJPRAJW-NHCUHLMSSA-N
XLogP1.89
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 134704146
(2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 155507363
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030
(4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505780
(2,6-dimethyl-3-pyridinyl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 134712913
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 134698352
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 134711695
[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone
CID 154818944
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
(1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 134705844
2-[cyclopentyl(methyl)amino]-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone
CID 134704253
1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 134708065

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone (CID 134710467) is [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone is O=C(c1ccccn1)N1CCC(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)CC1.
What is the InChIKey of [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is ZXNLQOSDJPRAJW-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H27N3O4/c27-16-20-21(17-6-2-1-3-7-17)26(14-15-30-20)22(28)18-9-12-25(13-10-18)23(29)19-8-4-5-11-24-19/h1-8,11,18,20-21,27H,9-10,12-16H2/t20-,21-/m1/s1.
What are the key properties of [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone?
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 409.49 g/mol, XLogP of 1.89, 4 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-(pyridine-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 134710467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).