[5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate

C24H26ClN3O3 — CID 70138858

IUPAC[5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate
SMILESCN1CCN(c2ccccc2-c2ccc(OC(=O)NCCc3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C24H26ClN3O3/c1-27-14-16-28(17-15-27)21-5-3-2-4-20(21)22-10-11-23(30-22)31-24(29)26-13-12-18-6-8-19(25)9-7-18/h2-11H,12-17H2,1H3,(H,26,29)
InChIKeyRAZXCPYVTRAKDW-UHFFFAOYSA-N
MW439.94 g/mol
LogP4.68
Rot. Bonds6

About [5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate

[5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate (PubChem CID 70138858) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is [5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name[5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate
PubChem CID70138858
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name[5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate
SMILESCN1CCN(c2ccccc2-c2ccc(OC(=O)NCCc3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C24H26ClN3O3/c1-27-14-16-28(17-15-27)21-5-3-2-4-20(21)22-10-11-23(30-22)31-24(29)26-13-12-18-6-8-19(25)9-7-18/h2-11H,12-17H2,1H3,(H,26,29)
InChIKeyRAZXCPYVTRAKDW-UHFFFAOYSA-N
XLogP4.68
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108891987
N-[2-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687762
N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113109947
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113110979
N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 16809905
4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27539448
N-[2-(4-chlorophenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989697
2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889214
4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide
CID 156708014
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 177383040
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 9075065

Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate?
The IUPAC name of [5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate (CID 70138858) is [5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate.
What is the SMILES notation for [5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate?
The canonical SMILES for [5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate is CN1CCN(c2ccccc2-c2ccc(OC(=O)NCCc3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of [5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate?
The InChIKey is RAZXCPYVTRAKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-27-14-16-28(17-15-27)21-5-3-2-4-20(21)22-10-11-23(30-22)31-24(29)26-13-12-18-6-8-19(25)9-7-18/h2-11H,12-17H2,1H3,(H,26,29).
What are the key properties of [5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate?
[5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate has a molecular weight of 439.94 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-yl] N-[2-(4-chlorophenyl)ethyl]carbamate is sourced from PubChem (CID 70138858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).