(4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone

C22H26FN3O2 — CID 24947938

IUPAC(4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone
SMILESCNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1cccc(F)c1
InChIInChI=1S/C22H26FN3O2/c1-24-15-17-13-16(5-8-21(17)28-20-4-2-3-18(23)14-20)22(27)26-11-9-25(10-12-26)19-6-7-19/h2-5,8,13-14,19,24H,6-7,9-12,15H2,1H3
InChIKeyCNAHRPLBYREXJE-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.26
Rot. Bonds6

About (4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone

(4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone (PubChem CID 24947938) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone
PubChem CID24947938
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone
SMILESCNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1cccc(F)c1
InChIInChI=1S/C22H26FN3O2/c1-24-15-17-13-16(5-8-21(17)28-20-4-2-3-18(23)14-20)22(27)26-11-9-25(10-12-26)19-6-7-19/h2-5,8,13-14,19,24H,6-7,9-12,15H2,1H3
InChIKeyCNAHRPLBYREXJE-UHFFFAOYSA-N
XLogP3.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone (CID 24947938) is (4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone is CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1cccc(F)c1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone?
The InChIKey is CNAHRPLBYREXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-24-15-17-13-16(5-8-21(17)28-20-4-2-3-18(23)14-20)22(27)26-11-9-25(10-12-26)19-6-7-19/h2-5,8,13-14,19,24H,6-7,9-12,15H2,1H3.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone?
(4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone has a molecular weight of 383.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone is sourced from PubChem (CID 24947938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).