2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide

C17H24N2O3 — CID 72929686

IUPAC2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide
SMILESC=C(C)COc1ccccc1NC(=O)N1CCCCC1CO
InChIInChI=1S/C17H24N2O3/c1-13(2)12-22-16-9-4-3-8-15(16)18-17(21)19-10-6-5-7-14(19)11-20/h3-4,8-9,14,20H,1,5-7,10-12H2,2H3,(H,18,21)
InChIKeyMFHASWKXUGDEPA-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.02
Rot. Bonds5

About 2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide

2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide (PubChem CID 72929686) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide
PubChem CID72929686
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide
SMILESC=C(C)COc1ccccc1NC(=O)N1CCCCC1CO
InChIInChI=1S/C17H24N2O3/c1-13(2)12-22-16-9-4-3-8-15(16)18-17(21)19-10-6-5-7-14(19)11-20/h3-4,8-9,14,20H,1,5-7,10-12H2,2H3,(H,18,21)
InChIKeyMFHASWKXUGDEPA-UHFFFAOYSA-N
XLogP3.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide (CID 72929686) is 2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide is C=C(C)COc1ccccc1NC(=O)N1CCCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is MFHASWKXUGDEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(2)12-22-16-9-4-3-8-15(16)18-17(21)19-10-6-5-7-14(19)11-20/h3-4,8-9,14,20H,1,5-7,10-12H2,2H3,(H,18,21).
What are the key properties of 2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide?
2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 72929686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).