5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide

C18H26N2O2 — CID 167988844

IUPAC5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide
SMILESCC1CNCC(C(=O)Nc2ccc(C3CCOCC3)cc2)C1
InChIInChI=1S/C18H26N2O2/c1-13-10-16(12-19-11-13)18(21)20-17-4-2-14(3-5-17)15-6-8-22-9-7-15/h2-5,13,15-16,19H,6-12H2,1H3,(H,20,21)
InChIKeyJHWQMFASDMFLJX-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.76
Rot. Bonds3

About 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide

5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide (PubChem CID 167988844) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide
PubChem CID167988844
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide
SMILESCC1CNCC(C(=O)Nc2ccc(C3CCOCC3)cc2)C1
InChIInChI=1S/C18H26N2O2/c1-13-10-16(12-19-11-13)18(21)20-17-4-2-14(3-5-17)15-6-8-22-9-7-15/h2-5,13,15-16,19H,6-12H2,1H3,(H,20,21)
InChIKeyJHWQMFASDMFLJX-UHFFFAOYSA-N
XLogP2.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide (CID 167988844) is 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide is CC1CNCC(C(=O)Nc2ccc(C3CCOCC3)cc2)C1.
What is the InChIKey of 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is JHWQMFASDMFLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-10-16(12-19-11-13)18(21)20-17-4-2-14(3-5-17)15-6-8-22-9-7-15/h2-5,13,15-16,19H,6-12H2,1H3,(H,20,21).
What are the key properties of 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide?
5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 167988844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).