4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide

C10H18ClN3O — CID 78832747

IUPAC4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C/C=C/Cl)CC1
InChIInChI=1S/C10H18ClN3O/c1-2-12-10(15)14-8-6-13(7-9-14)5-3-4-11/h3-4H,2,5-9H2,1H3,(H,12,15)/b4-3+
InChIKeyCYAFKEVYUOAFRH-ONEGZZNKSA-N
MW231.73 g/mol
LogP1.09
Rot. Bonds3

About 4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide

4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 78832747) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide
PubChem CID78832747
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C/C=C/Cl)CC1
InChIInChI=1S/C10H18ClN3O/c1-2-12-10(15)14-8-6-13(7-9-14)5-3-4-11/h3-4H,2,5-9H2,1H3,(H,12,15)/b4-3+
InChIKeyCYAFKEVYUOAFRH-ONEGZZNKSA-N
XLogP1.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diethylpiperazine-1-carboxamide
CID 22309084
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283
N-ethylpiperazine-1-carboxamide
CID 9207783
4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide
CID 63679902
N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;molecular hydrogen
CID 143541774
4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide
CID 71783438
4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide
CID 87013481
4-[5-(4-chlorophenyl)pent-4-enyl]-N-ethylpiperazine-1-carboxamide
CID 70476324
N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide
CID 78827366
N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride
CID 120980560

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide (CID 78832747) is 4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C/C=C/Cl)CC1.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is CYAFKEVYUOAFRH-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H18ClN3O/c1-2-12-10(15)14-8-6-13(7-9-14)5-3-4-11/h3-4H,2,5-9H2,1H3,(H,12,15)/b4-3+.
What are the key properties of 4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide?
4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 231.73 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-chloroprop-2-enyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 78832747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).