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

C20H30N2O2 — CID 91907752

IUPACN-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESCC1CCN(c2ccc(CNC(=O)CC3CCOCC3)cc2)CC1
InChIInChI=1S/C20H30N2O2/c1-16-6-10-22(11-7-16)19-4-2-18(3-5-19)15-21-20(23)14-17-8-12-24-13-9-17/h2-5,16-17H,6-15H2,1H3,(H,21,23)
InChIKeyTZDQKSRYYADBKU-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.36
Rot. Bonds5

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

N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 91907752) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID91907752
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESCC1CCN(c2ccc(CNC(=O)CC3CCOCC3)cc2)CC1
InChIInChI=1S/C20H30N2O2/c1-16-6-10-22(11-7-16)19-4-2-18(3-5-19)15-21-20(23)14-17-8-12-24-13-9-17/h2-5,16-17H,6-15H2,1H3,(H,21,23)
InChIKeyTZDQKSRYYADBKU-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)acetamide (CID 91907752) is N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)acetamide is CC1CCN(c2ccc(CNC(=O)CC3CCOCC3)cc2)CC1.
What is the InChIKey of N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is TZDQKSRYYADBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16-6-10-22(11-7-16)19-4-2-18(3-5-19)15-21-20(23)14-17-8-12-24-13-9-17/h2-5,16-17H,6-15H2,1H3,(H,21,23).
What are the key properties of N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 330.47 g/mol, XLogP of 3.36, 5 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]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 91907752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).