N,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide

C26H32N2O — CID 10452891

IUPACN,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide
SMILESC=CCN1CCC(=C(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1
InChIInChI=1S/C26H32N2O/c1-4-18-27-19-16-23(17-20-27)25(21-10-8-7-9-11-21)22-12-14-24(15-13-22)26(29)28(5-2)6-3/h4,7-15H,1,5-6,16-20H2,2-3H3
InChIKeyFLCINJYFGQFRNS-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.25
Rot. Bonds7

About N,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide

N,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide (PubChem CID 10452891) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is N,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide
PubChem CID10452891
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC NameN,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide
SMILESC=CCN1CCC(=C(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1
InChIInChI=1S/C26H32N2O/c1-4-18-27-19-16-23(17-20-27)25(21-10-8-7-9-11-21)22-12-14-24(15-13-22)26(29)28(5-2)6-3/h4,7-15H,1,5-6,16-20H2,2-3H3
InChIKeyFLCINJYFGQFRNS-UHFFFAOYSA-N
XLogP5.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide (CID 10452891) is N,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide is C=CCN1CCC(=C(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1.
What is the InChIKey of N,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide?
The InChIKey is FLCINJYFGQFRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-4-18-27-19-16-23(17-20-27)25(21-10-8-7-9-11-21)22-12-14-24(15-13-22)26(29)28(5-2)6-3/h4,7-15H,1,5-6,16-20H2,2-3H3.
What are the key properties of N,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide?
N,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide has a molecular weight of 388.56 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[phenyl-(1-prop-2-enylpiperidin-4-ylidene)methyl]benzamide is sourced from PubChem (CID 10452891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).