(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide

C26H27N3O — CID 1128763

IUPAC(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H27N3O/c30-26(16-11-22-7-3-1-4-8-22)27-24-12-14-25(15-13-24)29-19-17-28(18-20-29)21-23-9-5-2-6-10-23/h1-16H,17-21H2,(H,27,30)/b16-11+
InChIKeyMVGGUOWVENIRIA-LFIBNONCSA-N
MW397.52 g/mol
LogP4.66
Rot. Bonds6

About (E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide

(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide (PubChem CID 1128763) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is (E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide
PubChem CID1128763
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H27N3O/c30-26(16-11-22-7-3-1-4-8-22)27-24-12-14-25(15-13-24)29-19-17-28(18-20-29)21-23-9-5-2-6-10-23/h1-16H,17-21H2,(H,27,30)/b16-11+
InChIKeyMVGGUOWVENIRIA-LFIBNONCSA-N
XLogP4.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 46698969
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 950916
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17274686
(E)-N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 17116358
(E)-3-[3-[(E)-3-[4-(4-benzylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 25207656
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46524125
(E)-3-phenyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 17050019
(E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]prop-1-enyl]phenyl]prop-2-enamide
CID 25207493
(E)-3-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 10830868
3-(4-chlorophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide
CID 925582
3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 1493876
1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 2809988

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide (CID 1128763) is (E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is MVGGUOWVENIRIA-LFIBNONCSA-N. The full InChI is InChI=1S/C26H27N3O/c30-26(16-11-22-7-3-1-4-8-22)27-24-12-14-25(15-13-24)29-19-17-28(18-20-29)21-23-9-5-2-6-10-23/h1-16H,17-21H2,(H,27,30)/b16-11+.
What are the key properties of (E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide?
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 397.52 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 1128763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).