N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide

C24H31N3O — CID 112984571

IUPACN-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O/c1-2-3-11-24(28)25-22-12-14-23(15-13-22)27-19-17-26(18-20-27)16-7-10-21-8-5-4-6-9-21/h4-10,12-15H,2-3,11,16-20H2,1H3,(H,25,28)/b10-7+
InChIKeyYBGVNECHWZZEMM-JXMROGBWSA-N
MW377.53 g/mol
LogP4.65
Rot. Bonds8

About N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide

N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide (PubChem CID 112984571) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide
PubChem CID112984571
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O/c1-2-3-11-24(28)25-22-12-14-23(15-13-22)27-19-17-26(18-20-27)16-7-10-21-8-5-4-6-9-21/h4-10,12-15H,2-3,11,16-20H2,1H3,(H,25,28)/b10-7+
InChIKeyYBGVNECHWZZEMM-JXMROGBWSA-N
XLogP4.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]carbamate
CID 112984580
N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
CID 53312696
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]pentanamide
CID 4630313
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
(4-phenylpiperazin-1-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 108989523
N-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6470321
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one
CID 6140077
N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride
CID 5389665
N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990296
4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide
CID 4834495
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide?
The IUPAC name of N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide (CID 112984571) is N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide?
The canonical SMILES for N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide?
The InChIKey is YBGVNECHWZZEMM-JXMROGBWSA-N. The full InChI is InChI=1S/C24H31N3O/c1-2-3-11-24(28)25-22-12-14-23(15-13-22)27-19-17-26(18-20-27)16-7-10-21-8-5-4-6-9-21/h4-10,12-15H,2-3,11,16-20H2,1H3,(H,25,28)/b10-7+.
What are the key properties of N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide?
N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide has a molecular weight of 377.53 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide is sourced from PubChem (CID 112984571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).