N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide

C15H22ClN3O2 — CID 108879940

IUPACN-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(C)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O2/c1-3-18-8-10-19(11-9-18)15(20)17-12(2)21-14-6-4-13(16)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyTUOLZHXIKOQCJB-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.41
Rot. Bonds4

About N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide

N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide (PubChem CID 108879940) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
PubChem CID108879940
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(C)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O2/c1-3-18-8-10-19(11-9-18)15(20)17-12(2)21-14-6-4-13(16)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyTUOLZHXIKOQCJB-UHFFFAOYSA-N
XLogP2.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 108879830
N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108880006
N-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113104308
4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
CID 108880576
N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide
CID 108880527
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 112760065
ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate
CID 108880493
4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide
CID 108871212
4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
CID 112972518
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
3-[1-(4-chlorophenoxy)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108879958
2,4-dichloro-N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 134016848

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide (CID 108879940) is N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)NC(C)Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide?
The InChIKey is TUOLZHXIKOQCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-3-18-8-10-19(11-9-18)15(20)17-12(2)21-14-6-4-13(16)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide?
N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 108879940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).