2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide

C15H23N3O2 — CID 77097384

IUPAC2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide
SMILESO=C(CN1CCCC(O)C1)NCCCc1ccccn1
InChIInChI=1S/C15H23N3O2/c19-14-7-4-10-18(11-14)12-15(20)17-9-3-6-13-5-1-2-8-16-13/h1-2,5,8,14,19H,3-4,6-7,9-12H2,(H,17,20)
InChIKeyGBMFFJPWDVQTFZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.59
Rot. Bonds6

About 2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide

2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide (PubChem CID 77097384) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide
PubChem CID77097384
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide
SMILESO=C(CN1CCCC(O)C1)NCCCc1ccccn1
InChIInChI=1S/C15H23N3O2/c19-14-7-4-10-18(11-14)12-15(20)17-9-3-6-13-5-1-2-8-16-13/h1-2,5,8,14,19H,3-4,6-7,9-12H2,(H,17,20)
InChIKeyGBMFFJPWDVQTFZ-UHFFFAOYSA-N
XLogP0.59
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide (CID 77097384) is 2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide is O=C(CN1CCCC(O)C1)NCCCc1ccccn1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide?
The InChIKey is GBMFFJPWDVQTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-14-7-4-10-18(11-14)12-15(20)17-9-3-6-13-5-1-2-8-16-13/h1-2,5,8,14,19H,3-4,6-7,9-12H2,(H,17,20).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide?
2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide is sourced from PubChem (CID 77097384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).