3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one

C18H20ClN3O3 — CID 155937771

IUPAC3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one
SMILESO=C1C(NCc2cc(Cl)ccc2OCc2cccnc2)CCCN1O
InChIInChI=1S/C18H20ClN3O3/c19-15-5-6-17(25-12-13-3-1-7-20-10-13)14(9-15)11-21-16-4-2-8-22(24)18(16)23/h1,3,5-7,9-10,16,21,24H,2,4,8,11-12H2
InChIKeyJPDITQYEEWJDCK-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.78
Rot. Bonds6

About 3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one

3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one (PubChem CID 155937771) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one.

Molecular Properties

Compound Name3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one
PubChem CID155937771
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one
SMILESO=C1C(NCc2cc(Cl)ccc2OCc2cccnc2)CCCN1O
InChIInChI=1S/C18H20ClN3O3/c19-15-5-6-17(25-12-13-3-1-7-20-10-13)14(9-15)11-21-16-4-2-8-22(24)18(16)23/h1,3,5-7,9-10,16,21,24H,2,4,8,11-12H2
InChIKeyJPDITQYEEWJDCK-UHFFFAOYSA-N
XLogP2.78
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol
CID 94528472
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 43275372
3-[[4-chloro-2-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 86879280
4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961872
2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol
CID 110899734
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 34535658
N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide
CID 78895433
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
CID 17289738
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 60523516
2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 17054003
1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one
CID 58842192

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one?
The IUPAC name of 3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one (CID 155937771) is 3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one.
What is the SMILES notation for 3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one?
The canonical SMILES for 3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one is O=C1C(NCc2cc(Cl)ccc2OCc2cccnc2)CCCN1O.
What is the InChIKey of 3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one?
The InChIKey is JPDITQYEEWJDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c19-15-5-6-17(25-12-13-3-1-7-20-10-13)14(9-15)11-21-16-4-2-8-22(24)18(16)23/h1,3,5-7,9-10,16,21,24H,2,4,8,11-12H2.
What are the key properties of 3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one?
3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one has a molecular weight of 361.83 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one is sourced from PubChem (CID 155937771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).