2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide

C17H26N2O3 — CID 60501458

IUPAC2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide
SMILESCN(CCCOc1ccccc1)C(=O)CN1CCC(O)CC1
InChIInChI=1S/C17H26N2O3/c1-18(10-5-13-22-16-6-3-2-4-7-16)17(21)14-19-11-8-15(20)9-12-19/h2-4,6-7,15,20H,5,8-14H2,1H3
InChIKeyKAJHKYBBFNQJLL-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.37
Rot. Bonds7

About 2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide

2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide (PubChem CID 60501458) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide
PubChem CID60501458
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide
SMILESCN(CCCOc1ccccc1)C(=O)CN1CCC(O)CC1
InChIInChI=1S/C17H26N2O3/c1-18(10-5-13-22-16-6-3-2-4-7-16)17(21)14-19-11-8-15(20)9-12-19/h2-4,6-7,15,20H,5,8-14H2,1H3
InChIKeyKAJHKYBBFNQJLL-UHFFFAOYSA-N
XLogP1.37
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
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-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide (CID 60501458) is 2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide is CN(CCCOc1ccccc1)C(=O)CN1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide?
The InChIKey is KAJHKYBBFNQJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-18(10-5-13-22-16-6-3-2-4-7-16)17(21)14-19-11-8-15(20)9-12-19/h2-4,6-7,15,20H,5,8-14H2,1H3.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide?
2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide is sourced from PubChem (CID 60501458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).