[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

C22H29N3O2 — CID 113078833

IUPAC[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-4-23(5-2)19-9-11-20(12-10-19)24-13-15-25(16-14-24)22(26)18-7-6-8-21(17-18)27-3/h6-12,17H,4-5,13-16H2,1-3H3
InChIKeySQXMMNSHEBXQDB-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.50
Rot. Bonds6

About [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 113078833) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID113078833
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-4-23(5-2)19-9-11-20(12-10-19)24-13-15-25(16-14-24)22(26)18-7-6-8-21(17-18)27-3/h6-12,17H,4-5,13-16H2,1-3H3
InChIKeySQXMMNSHEBXQDB-UHFFFAOYSA-N
XLogP3.50
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113078827
(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079051
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396
3-methoxybenzoic acid;(3-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 17368444
[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 53041905
[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 31911957
[2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 5073983
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 17175869
[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 121038204
ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984389

Frequently Asked Questions

What is the IUPAC name of [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 113078833) is [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is CCN(CC)c1ccc(N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1.
What is the InChIKey of [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is SQXMMNSHEBXQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-23(5-2)19-9-11-20(12-10-19)24-13-15-25(16-14-24)22(26)18-7-6-8-21(17-18)27-3/h6-12,17H,4-5,13-16H2,1-3H3.
What are the key properties of [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 367.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 113078833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).