4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide

C12H22N4O — CID 87013481

IUPAC4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCCCC#N)CC1
InChIInChI=1S/C12H22N4O/c1-2-14-12(17)16-10-8-15(9-11-16)7-5-3-4-6-13/h2-5,7-11H2,1H3,(H,14,17)
InChIKeyPYSWPTYNVGYXHF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.03
Rot. Bonds5

About 4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide

4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 87013481) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide
PubChem CID87013481
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCCCC#N)CC1
InChIInChI=1S/C12H22N4O/c1-2-14-12(17)16-10-8-15(9-11-16)7-5-3-4-6-13/h2-5,7-11H2,1H3,(H,14,17)
InChIKeyPYSWPTYNVGYXHF-UHFFFAOYSA-N
XLogP1.03
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283
N,4-diethylpiperazine-1-carboxamide
CID 22309084
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide
CID 157300457
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide
CID 113104066
5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile
CID 60688742
N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride
CID 70382435
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile
CID 56778759
4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide
CID 86912387
4-(cyanomethyl)-N-propylpiperazine-1-carboxamide
CID 60969051

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide (CID 87013481) is 4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(CCCCC#N)CC1.
What is the InChIKey of 4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is PYSWPTYNVGYXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-14-12(17)16-10-8-15(9-11-16)7-5-3-4-6-13/h2-5,7-11H2,1H3,(H,14,17).
What are the key properties of 4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide?
4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 87013481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).