4-benzylidene-N-methylpiperidine-1-carboxamide

C14H18N2O — CID 71924368

IUPAC4-benzylidene-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C14H18N2O/c1-15-14(17)16-9-7-13(8-10-16)11-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,17)
InChIKeyQMMYRXCIJQIOGF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.51
Rot. Bonds1

About 4-benzylidene-N-methylpiperidine-1-carboxamide

4-benzylidene-N-methylpiperidine-1-carboxamide (PubChem CID 71924368) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-benzylidene-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzylidene-N-methylpiperidine-1-carboxamide
PubChem CID71924368
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-benzylidene-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C14H18N2O/c1-15-14(17)16-9-7-13(8-10-16)11-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,17)
InChIKeyQMMYRXCIJQIOGF-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-benzylidene-N-methylpiperidine-1-carboxamide (CID 71924368) is 4-benzylidene-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-benzylidene-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-benzylidene-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylidene-N-methylpiperidine-1-carboxamide?
The InChIKey is QMMYRXCIJQIOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-15-14(17)16-9-7-13(8-10-16)11-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,17).
What are the key properties of 4-benzylidene-N-methylpiperidine-1-carboxamide?
4-benzylidene-N-methylpiperidine-1-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 71924368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).