(Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide

C20H23N3O — CID 170876705

IUPAC(Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide
SMILESNC(=O)/C=C\c1ccccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3O/c21-20(24)11-10-18-8-4-5-9-19(18)23-14-12-22(13-15-23)16-17-6-2-1-3-7-17/h1-11H,12-16H2,(H2,21,24)/b11-10-
InChIKeyUHFIMZOEEMGQHY-KHPPLWFESA-N
MW321.42 g/mol
LogP2.51
Rot. Bonds5

About (Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide

(Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide (PubChem CID 170876705) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is (Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide
PubChem CID170876705
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name(Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide
SMILESNC(=O)/C=C\c1ccccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3O/c21-20(24)11-10-18-8-4-5-9-19(18)23-14-12-22(13-15-23)16-17-6-2-1-3-7-17/h1-11H,12-16H2,(H2,21,24)/b11-10-
InChIKeyUHFIMZOEEMGQHY-KHPPLWFESA-N
XLogP2.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-(4-benzylpiperazin-1-yl)-2-bromophenyl]prop-2-enamide
CID 170878040
(E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 122514187
(E)-N-hydroxy-3-[2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]phenyl]prop-2-enamide
CID 122514430
ethane;methyl (E)-3-[2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]phenyl]prop-2-enoate
CID 145156916
4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide
CID 25329756
(E)-3-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514118
[2-(4-benzylpiperazin-1-yl)phenyl]methanol
CID 2741998
azane;2-(4-benzylpiperazin-1-yl)-6-fluorobenzoic acid
CID 174394059
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629658
3-(4-benzylpiperazin-1-yl)-4-chlorobenzoic acid
CID 110452600
4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoic acid
CID 23964120

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide (CID 170876705) is (Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide is NC(=O)/C=C\c1ccccc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide?
The InChIKey is UHFIMZOEEMGQHY-KHPPLWFESA-N. The full InChI is InChI=1S/C20H23N3O/c21-20(24)11-10-18-8-4-5-9-19(18)23-14-12-22(13-15-23)16-17-6-2-1-3-7-17/h1-11H,12-16H2,(H2,21,24)/b11-10-.
What are the key properties of (Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide?
(Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide has a molecular weight of 321.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 170876705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).