4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide

C18H26ClN3O — CID 70476324

IUPAC4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCCC=Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClN3O/c1-2-20-18(23)22-14-12-21(13-15-22)11-5-3-4-6-16-7-9-17(19)10-8-16/h4,6-10H,2-3,5,11-15H2,1H3,(H,20,23)
InChIKeyUJKNOESSUMSISK-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.48
Rot. Bonds6

About 4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide

4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 70476324) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide
PubChem CID70476324
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCCC=Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClN3O/c1-2-20-18(23)22-14-12-21(13-15-22)11-5-3-4-6-16-7-9-17(19)10-8-16/h4,6-10H,2-3,5,11-15H2,1H3,(H,20,23)
InChIKeyUJKNOESSUMSISK-UHFFFAOYSA-N
XLogP3.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide
CID 110747126
4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283
4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide
CID 157300457
(E)-3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]prop-2-enamide
CID 110440061
(E)-3-(4-chlorophenyl)-N-[3-[4-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6034169
4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide
CID 87013481
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide
CID 86912387
4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 146242192
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride
CID 70382049
(E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide
CID 43443260

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide (CID 70476324) is 4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(CCCC=Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is UJKNOESSUMSISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-2-20-18(23)22-14-12-21(13-15-22)11-5-3-4-6-16-7-9-17(19)10-8-16/h4,6-10H,2-3,5,11-15H2,1H3,(H,20,23).
What are the key properties of 4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide?
4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 335.88 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 70476324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).