N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide

C13H18ClN3O2 — CID 114681343

IUPACN-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
SMILESCC1CN(CC(=O)Nc2cccnc2Cl)CCC1O
InChIInChI=1S/C13H18ClN3O2/c1-9-7-17(6-4-11(9)18)8-12(19)16-10-3-2-5-15-13(10)14/h2-3,5,9,11,18H,4,6-8H2,1H3,(H,16,19)
InChIKeyLKPZLDJLNURZDB-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.38
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide

N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide (PubChem CID 114681343) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
PubChem CID114681343
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
SMILESCC1CN(CC(=O)Nc2cccnc2Cl)CCC1O
InChIInChI=1S/C13H18ClN3O2/c1-9-7-17(6-4-11(9)18)8-12(19)16-10-3-2-5-15-13(10)14/h2-3,5,9,11,18H,4,6-8H2,1H3,(H,16,19)
InChIKeyLKPZLDJLNURZDB-UHFFFAOYSA-N
XLogP1.38
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81490607
N-(2-chloro-3-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968065
N-(2-chloro-4-fluorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681562
N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580767
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 115486117
N-(2-chloro-3-pyridinyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 34932524
2-[4-(2-adamantyl)piperazin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 17276225
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 102682793
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114677873
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 114681188
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119925180
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 114961186

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide (CID 114681343) is N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide is CC1CN(CC(=O)Nc2cccnc2Cl)CCC1O.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide?
The InChIKey is LKPZLDJLNURZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9-7-17(6-4-11(9)18)8-12(19)16-10-3-2-5-15-13(10)14/h2-3,5,9,11,18H,4,6-8H2,1H3,(H,16,19).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide?
N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide has a molecular weight of 283.76 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 114681343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).