[4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone

C24H30ClN3O2 — CID 24946668

IUPAC[4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
SMILESCNCc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C24H30ClN3O2/c1-26-17-19-16-18(6-11-23(19)30-22-9-7-20(25)8-10-22)24(29)28-14-12-27(13-15-28)21-4-2-3-5-21/h6-11,16,21,26H,2-5,12-15,17H2,1H3
InChIKeyDWIOHHAGWJCPQF-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.55
Rot. Bonds6

About [4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone

[4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone (PubChem CID 24946668) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
PubChem CID24946668
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name[4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
SMILESCNCc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C24H30ClN3O2/c1-26-17-19-16-18(6-11-23(19)30-22-9-7-20(25)8-10-22)24(29)28-14-12-27(13-15-28)21-4-2-3-5-21/h6-11,16,21,26H,2-5,12-15,17H2,1H3
InChIKeyDWIOHHAGWJCPQF-UHFFFAOYSA-N
XLogP4.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone (CID 24946668) is [4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone is CNCc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1Oc1ccc(Cl)cc1.
What is the InChIKey of [4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone?
The InChIKey is DWIOHHAGWJCPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-26-17-19-16-18(6-11-23(19)30-22-9-7-20(25)8-10-22)24(29)28-14-12-27(13-15-28)21-4-2-3-5-21/h6-11,16,21,26H,2-5,12-15,17H2,1H3.
What are the key properties of [4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone?
[4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone has a molecular weight of 427.98 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone is sourced from PubChem (CID 24946668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).