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

C21H32N2O2 — CID 91907765

IUPACN-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)propanamide
SMILESCC1CCN(c2ccc(CNC(=O)C(C)C3CCOCC3)cc2)CC1
InChIInChI=1S/C21H32N2O2/c1-16-7-11-23(12-8-16)20-5-3-18(4-6-20)15-22-21(24)17(2)19-9-13-25-14-10-19/h3-6,16-17,19H,7-15H2,1-2H3,(H,22,24)
InChIKeyTUYNFOMVAGWAAE-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.60
Rot. Bonds5

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

N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)propanamide (PubChem CID 91907765) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)propanamide
PubChem CID91907765
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)propanamide
SMILESCC1CCN(c2ccc(CNC(=O)C(C)C3CCOCC3)cc2)CC1
InChIInChI=1S/C21H32N2O2/c1-16-7-11-23(12-8-16)20-5-3-18(4-6-20)15-22-21(24)17(2)19-9-13-25-14-10-19/h3-6,16-17,19H,7-15H2,1-2H3,(H,22,24)
InChIKeyTUYNFOMVAGWAAE-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.60
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)propanamide?
The IUPAC name of N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)propanamide (CID 91907765) is N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)propanamide is CC1CCN(c2ccc(CNC(=O)C(C)C3CCOCC3)cc2)CC1.
What is the InChIKey of N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)propanamide?
The InChIKey is TUYNFOMVAGWAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16-7-11-23(12-8-16)20-5-3-18(4-6-20)15-22-21(24)17(2)19-9-13-25-14-10-19/h3-6,16-17,19H,7-15H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)propanamide?
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-2-(oxan-4-yl)propanamide has a molecular weight of 344.50 g/mol, XLogP of 3.60, 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)propanamide is sourced from PubChem (CID 91907765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).