3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one

C21H26N2O3 — CID 164754110

IUPAC3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCNCC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-18-7-3-16(4-8-18)20(17-5-9-19(26-2)10-6-17)15-21(24)23-13-11-22-12-14-23/h3-10,20,22H,11-15H2,1-2H3
InChIKeyKOXHVYFWDVIFEX-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.66
Rot. Bonds6

About 3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one

3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one (PubChem CID 164754110) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one
PubChem CID164754110
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCNCC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-18-7-3-16(4-8-18)20(17-5-9-19(26-2)10-6-17)15-21(24)23-13-11-22-12-14-23/h3-10,20,22H,11-15H2,1-2H3
InChIKeyKOXHVYFWDVIFEX-UHFFFAOYSA-N
XLogP2.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402873
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 82090911
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 45248772
1-(4-methoxyphenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119401755
3-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)butan-1-one
CID 119579126
2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 55211427
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3,3-diphenylpropan-1-one
CID 55919041
2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 54891952
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one (CID 164754110) is 3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one is COc1ccc(C(CC(=O)N2CCNCC2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is KOXHVYFWDVIFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-18-7-3-16(4-8-18)20(17-5-9-19(26-2)10-6-17)15-21(24)23-13-11-22-12-14-23/h3-10,20,22H,11-15H2,1-2H3.
What are the key properties of 3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one?
3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 354.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 164754110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).