[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone

C23H35N3O3 — CID 154818944

IUPAC[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C23H35N3O3/c1-24-11-7-19(8-12-24)23(28)26-15-16-29-21(17-25-13-9-20(27)10-14-25)22(26)18-5-3-2-4-6-18/h2-6,19-22,27H,7-17H2,1H3/t21-,22-/m0/s1
InChIKeyKAYYHIJQXXPEAF-VXKWHMMOSA-N
MW401.55 g/mol
LogP1.75
Rot. Bonds4

About [(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone

[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 154818944) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is [(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone
PubChem CID154818944
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C23H35N3O3/c1-24-11-7-19(8-12-24)23(28)26-15-16-29-21(17-25-13-9-20(27)10-14-25)22(26)18-5-3-2-4-6-18/h2-6,19-22,27H,7-17H2,1H3/t21-,22-/m0/s1
InChIKeyKAYYHIJQXXPEAF-VXKWHMMOSA-N
XLogP1.75
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone with MolForge

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Related Compounds

N-ethyl-1'-(2-methylbenzyl)-N-(tetrahydro-2-furanylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 24793902
Morpholine, 2,5-dimethyl-3-phenyl-4-(2-propylvaleryl)-
CID 3064263
[(2R)-2-(hydroxymethyl)piperidin-1-yl]-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 28133613
4-hydroxy-N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]cyclohexane-1-carboxamide
CID 128988763
4-Methyl-2-[4-(pentan-3-YL)piperazine-1-carbonyl]-3-phenylmorpholine
CID 132334733
(3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one
CID 11572478
(3S)-1-[(1R)-2-hydroxy-1-phenylethyl]-3-[(3S)-1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopiperidin-3-yl]piperidin-2-one
CID 101546191
N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(tetrahydro-2H-pyran-4-yl)piperidine-4-carboxamide
CID 74249222
N-[(1S)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 97940007
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 97940008
[1-[(3-Fluorophenyl)methyl]piperidin-3-yl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 109995221
1-[4-[3-(4-Fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 110663813

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone (CID 154818944) is [(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone is CN1CCC(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)CC1.
What is the InChIKey of [(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is KAYYHIJQXXPEAF-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-24-11-7-19(8-12-24)23(28)26-15-16-29-21(17-25-13-9-20(27)10-14-25)22(26)18-5-3-2-4-6-18/h2-6,19-22,27H,7-17H2,1H3/t21-,22-/m0/s1.
What are the key properties of [(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone?
[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 401.55 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 154818944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).