(2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride

C13H27Cl2N3O3 — CID 167719896

IUPAC(2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride
SMILESCC1(C)COC(CNC(=O)[C@@H]2C[C@H](O)CCN2)CN1.Cl.Cl
InChIInChI=1S/C13H25N3O3.2ClH/c1-13(2)8-19-10(7-16-13)6-15-12(18)11-5-9(17)3-4-14-11;;/h9-11,14,16-17H,3-8H2,1-2H3,(H,15,18);2*1H/t9-,10?,11+;;/m1../s1
InChIKeyIIWAYAYSTUPHRZ-PGCXFRCDSA-N
MW344.28 g/mol
LogP-0.17
Rot. Bonds3

About (2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride

(2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride (PubChem CID 167719896) has the molecular formula C13H27Cl2N3O3 and a molecular weight of 344.28 g/mol. Its IUPAC name is (2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride
PubChem CID167719896
Molecular FormulaC13H27Cl2N3O3
Molecular Weight344.28 g/mol
Exact Mass343.14
IUPAC Name(2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride
SMILESCC1(C)COC(CNC(=O)[C@@H]2C[C@H](O)CCN2)CN1.Cl.Cl
InChIInChI=1S/C13H25N3O3.2ClH/c1-13(2)8-19-10(7-16-13)6-15-12(18)11-5-9(17)3-4-14-11;;/h9-11,14,16-17H,3-8H2,1-2H3,(H,15,18);2*1H/t9-,10?,11+;;/m1../s1
InChIKeyIIWAYAYSTUPHRZ-PGCXFRCDSA-N
XLogP-0.17
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,2-dimethylcyclopropyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119785412
4-ethyl-N-[(3-hydroxycyclopentyl)methyl]piperidine-2-carboxamide
CID 114148003
N-[(3-hydroxycyclobutyl)methyl]azetidine-2-carboxamide
CID 127007560
N-(oxolan-2-ylmethyl)azetidine-2-carboxamide
CID 130964235
(2R)-N-[(2,2-dimethylcyclopropyl)methyl]azetidine-2-carboxamide
CID 130710779
(2R)-N-[(3-methyloxetan-3-yl)methyl]azetidine-2-carboxamide;hydrochloride
CID 130637833
4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860703
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 131159808
(2R)-N-(cyclopropylmethyl)azetidine-2-carboxamide;hydrochloride
CID 130670141
4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119861445
N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 106134352

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride (CID 167719896) is (2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride is CC1(C)COC(CNC(=O)[C@@H]2C[C@H](O)CCN2)CN1.Cl.Cl.
What is the InChIKey of (2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride?
The InChIKey is IIWAYAYSTUPHRZ-PGCXFRCDSA-N. The full InChI is InChI=1S/C13H25N3O3.2ClH/c1-13(2)8-19-10(7-16-13)6-15-12(18)11-5-9(17)3-4-14-11;;/h9-11,14,16-17H,3-8H2,1-2H3,(H,15,18);2*1H/t9-,10?,11+;;/m1../s1.
What are the key properties of (2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride?
(2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride has a molecular weight of 344.28 g/mol, XLogP of -0.17, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[(5,5-dimethylmorpholin-2-yl)methyl]-4-hydroxypiperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 167719896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).