4-benzylidene-N-ethylpiperidine-1-carboxamide

C15H20N2O — CID 71977296

IUPAC4-benzylidene-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C15H20N2O/c1-2-16-15(18)17-10-8-14(9-11-17)12-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,16,18)
InChIKeyPVYLXUMTJYRSRV-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.90
Rot. Bonds2

About 4-benzylidene-N-ethylpiperidine-1-carboxamide

4-benzylidene-N-ethylpiperidine-1-carboxamide (PubChem CID 71977296) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-benzylidene-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzylidene-N-ethylpiperidine-1-carboxamide
PubChem CID71977296
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-benzylidene-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C15H20N2O/c1-2-16-15(18)17-10-8-14(9-11-17)12-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,16,18)
InChIKeyPVYLXUMTJYRSRV-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 4-benzylidene-N-ethylpiperidine-1-carboxamide (CID 71977296) is 4-benzylidene-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-benzylidene-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 4-benzylidene-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylidene-N-ethylpiperidine-1-carboxamide?
The InChIKey is PVYLXUMTJYRSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-16-15(18)17-10-8-14(9-11-17)12-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,16,18).
What are the key properties of 4-benzylidene-N-ethylpiperidine-1-carboxamide?
4-benzylidene-N-ethylpiperidine-1-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 71977296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).