N,N-diethyl-4-[phenyl-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide

C25H33N3O — CID 10620493

IUPACN,N-diethyl-4-[phenyl-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide
SMILESC=CCN1CCN(C(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1
InChIInChI=1S/C25H33N3O/c1-4-16-26-17-19-28(20-18-26)24(21-10-8-7-9-11-21)22-12-14-23(15-13-22)25(29)27(5-2)6-3/h4,7-15,24H,1,5-6,16-20H2,2-3H3
InChIKeyPAIJMERJJOWHIB-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.06
Rot. Bonds8

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

N,N-diethyl-4-[phenyl-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide (PubChem CID 10620493) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is N,N-diethyl-4-[phenyl-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[phenyl-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide
PubChem CID10620493
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC NameN,N-diethyl-4-[phenyl-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide
SMILESC=CCN1CCN(C(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1
InChIInChI=1S/C25H33N3O/c1-4-16-26-17-19-28(20-18-26)24(21-10-8-7-9-11-21)22-12-14-23(15-13-22)25(29)27(5-2)6-3/h4,7-15,24H,1,5-6,16-20H2,2-3H3
InChIKeyPAIJMERJJOWHIB-UHFFFAOYSA-N
XLogP4.06
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[phenyl-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide (CID 10620493) is N,N-diethyl-4-[phenyl-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[phenyl-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[phenyl-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide is C=CCN1CCN(C(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1.
What is the InChIKey of N,N-diethyl-4-[phenyl-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide?
The InChIKey is PAIJMERJJOWHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-4-16-26-17-19-28(20-18-26)24(21-10-8-7-9-11-21)22-12-14-23(15-13-22)25(29)27(5-2)6-3/h4,7-15,24H,1,5-6,16-20H2,2-3H3.
What are the key properties of N,N-diethyl-4-[phenyl-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide?
N,N-diethyl-4-[phenyl-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide has a molecular weight of 391.56 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[phenyl-(4-prop-2-enylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 10620493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).