4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide

C18H27N3O — CID 110747126

IUPAC4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(CC/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H27N3O/c1-2-11-19-18(22)21-15-13-20(14-16-21)12-7-6-10-17-8-4-3-5-9-17/h3-6,8-10H,2,7,11-16H2,1H3,(H,19,22)/b10-6+
InChIKeyAOHFYPBVRQETIU-UXBLZVDNSA-N
MW301.43 g/mol
LogP2.83
Rot. Bonds6

About 4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide

4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide (PubChem CID 110747126) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide
PubChem CID110747126
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(CC/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H27N3O/c1-2-11-19-18(22)21-15-13-20(14-16-21)12-7-6-10-17-8-4-3-5-9-17/h3-6,8-10H,2,7,11-16H2,1H3,(H,19,22)/b10-6+
InChIKeyAOHFYPBVRQETIU-UXBLZVDNSA-N
XLogP2.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one
CID 110711063
tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate
CID 77144706
4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide
CID 70476324
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970257
N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126426034
N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 171134523
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
CID 109144322
N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 113213243
N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 112969792
3-[[N-methyl-C-[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbonimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111218370
4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide (CID 110747126) is 4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(CC/C=C/c2ccccc2)CC1.
What is the InChIKey of 4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is AOHFYPBVRQETIU-UXBLZVDNSA-N. The full InChI is InChI=1S/C18H27N3O/c1-2-11-19-18(22)21-15-13-20(14-16-21)12-7-6-10-17-8-4-3-5-9-17/h3-6,8-10H,2,7,11-16H2,1H3,(H,19,22)/b10-6+.
What are the key properties of 4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide?
4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110747126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).