N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide

C19H28N2O2 — CID 110862281

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
SMILESCC1CCN(c2ccc(NC(=O)CC3CCCOC3)cc2)CC1
InChIInChI=1S/C19H28N2O2/c1-15-8-10-21(11-9-15)18-6-4-17(5-7-18)20-19(22)13-16-3-2-12-23-14-16/h4-7,15-16H,2-3,8-14H2,1H3,(H,20,22)
InChIKeyGZMVYQMWWJNKHI-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.68
Rot. Bonds4

About N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide (PubChem CID 110862281) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
PubChem CID110862281
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
SMILESCC1CCN(c2ccc(NC(=O)CC3CCCOC3)cc2)CC1
InChIInChI=1S/C19H28N2O2/c1-15-8-10-21(11-9-15)18-6-4-17(5-7-18)20-19(22)13-16-3-2-12-23-14-16/h4-7,15-16H,2-3,8-14H2,1H3,(H,20,22)
InChIKeyGZMVYQMWWJNKHI-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696651
N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide
CID 110862273
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994306
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110703367
2-(2,5-dioxoimidazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110698550
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide
CID 113000233
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide (CID 110862281) is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide is CC1CCN(c2ccc(NC(=O)CC3CCCOC3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide?
The InChIKey is GZMVYQMWWJNKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-8-10-21(11-9-15)18-6-4-17(5-7-18)20-19(22)13-16-3-2-12-23-14-16/h4-7,15-16H,2-3,8-14H2,1H3,(H,20,22).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide has a molecular weight of 316.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide is sourced from PubChem (CID 110862281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).