3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride

C15H22ClN3O3 — CID 153408830

IUPAC3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride
SMILESCl.NC1CC(O)CN(c2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C15H21N3O3.ClH/c16-14-9-13(19)10-18(15(14)20)12-3-1-11(2-4-12)17-5-7-21-8-6-17;/h1-4,13-14,19H,5-10,16H2;1H
InChIKeyLQMUMKZRLYXMIC-UHFFFAOYSA-N
MW327.81 g/mol
LogP0.37
Rot. Bonds2

About 3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride

3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride (PubChem CID 153408830) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride
PubChem CID153408830
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride
SMILESCl.NC1CC(O)CN(c2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C15H21N3O3.ClH/c16-14-9-13(19)10-18(15(14)20)12-3-1-11(2-4-12)17-5-7-21-8-6-17;/h1-4,13-14,19H,5-10,16H2;1H
InChIKeyLQMUMKZRLYXMIC-UHFFFAOYSA-N
XLogP0.37
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 22014481
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CID 102501069
1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022
4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 168505583
4-morpholin-4-ylbenzenecarbothioic S-acid
CID 20689810
3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione
CID 64970576
(4-morpholin-4-ylphenyl)hydrazine;hydrochloride
CID 69411327
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide
CID 146249126
4-amino-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one
CID 168700683
1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride
CID 70180295
4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid
CID 70192799

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride?
The IUPAC name of 3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride (CID 153408830) is 3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride.
What is the SMILES notation for 3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride?
The canonical SMILES for 3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride is Cl.NC1CC(O)CN(c2ccc(N3CCOCC3)cc2)C1=O.
What is the InChIKey of 3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride?
The InChIKey is LQMUMKZRLYXMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c16-14-9-13(19)10-18(15(14)20)12-3-1-11(2-4-12)17-5-7-21-8-6-17;/h1-4,13-14,19H,5-10,16H2;1H.
What are the key properties of 3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride?
3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride is sourced from PubChem (CID 153408830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).