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

C14H20ClN3O2 — CID 108879830

IUPACN-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(C)CC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-11(20-13-5-3-12(15)4-6-13)16-14(19)18-9-7-17(2)8-10-18/h3-6,11H,7-10H2,1-2H3,(H,16,19)
InChIKeyFLHISJSSXRSCSV-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.02
Rot. Bonds3

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

N-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide (PubChem CID 108879830) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
PubChem CID108879830
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(C)CC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-11(20-13-5-3-12(15)4-6-13)16-14(19)18-9-7-17(2)8-10-18/h3-6,11H,7-10H2,1-2H3,(H,16,19)
InChIKeyFLHISJSSXRSCSV-UHFFFAOYSA-N
XLogP2.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.02
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

4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
CID 108880576
N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
CID 108879940
N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108880006
N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide
CID 108880527
4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide
CID 108871212
N-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113104308
N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108871232
ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate
CID 108880493
2-(4-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 17419365
3-[1-(4-chlorophenoxy)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108879958
4-[1-(4-chlorophenoxy)ethylcarbamoylamino]benzoic acid
CID 108879726
N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104357

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide (CID 108879830) is N-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide is CC(NC(=O)N1CCN(C)CC1)Oc1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is FLHISJSSXRSCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-11(20-13-5-3-12(15)4-6-13)16-14(19)18-9-7-17(2)8-10-18/h3-6,11H,7-10H2,1-2H3,(H,16,19).
What are the key properties of N-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
N-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 2.02, 3 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-methylpiperazine-1-carboxamide is sourced from PubChem (CID 108879830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).