[4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C25H35N3O2 — CID 24948319

IUPAC[4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H35N3O2/c1-20(2)27-16-18-28(19-17-27)25(29)22-12-10-21(11-13-22)24(14-15-26(3)4)30-23-8-6-5-7-9-23/h5-13,20,24H,14-19H2,1-4H3
InChIKeyCPVIJSYBBQJOPU-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.92
Rot. Bonds8

About [4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 24948319) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is [4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID24948319
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name[4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H35N3O2/c1-20(2)27-16-18-28(19-17-27)25(29)22-12-10-21(11-13-22)24(14-15-26(3)4)30-23-8-6-5-7-9-23/h5-13,20,24H,14-19H2,1-4H3
InChIKeyCPVIJSYBBQJOPU-UHFFFAOYSA-N
XLogP3.92
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 24948319) is [4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1.
What is the InChIKey of [4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is CPVIJSYBBQJOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-20(2)27-16-18-28(19-17-27)25(29)22-12-10-21(11-13-22)24(14-15-26(3)4)30-23-8-6-5-7-9-23/h5-13,20,24H,14-19H2,1-4H3.
What are the key properties of [4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 409.57 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)-1-phenoxypropyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24948319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).