3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one

C28H32N2O2 — CID 10693838

IUPAC3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
SMILESC1CN(CCN1CCC(=O)C2=CC=CC=C2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C28H32N2O2/c31-27(24-10-4-1-5-11-24)16-17-29-18-20-30(21-19-29)22-23-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,28H,16-23H2
InChIKeyRBFITAWVAXQBNB-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.40
Rot. Bonds10

About 3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one

3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one (PubChem CID 10693838) has the molecular formula C28H32N2O2 and a molecular weight of 428.60 g/mol. Its IUPAC name is 3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one
PubChem CID10693838
Molecular FormulaC28H32N2O2
Molecular Weight428.60 g/mol
Exact Mass428.25
IUPAC Name3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
SMILESC1CN(CCN1CCC(=O)C2=CC=CC=C2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C28H32N2O2/c31-27(24-10-4-1-5-11-24)16-17-29-18-20-30(21-19-29)22-23-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,28H,16-23H2
InChIKeyRBFITAWVAXQBNB-UHFFFAOYSA-N
XLogP4.40
TPSA32.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity510

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ebastine
CID 3191
Eprazinone
CID 3245
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
CID 3456
Eprazinone Hydrochloride
CID 73356
3-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-1-phenylpropan-1-one
CID 12017337
1-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-3-phenylpropan-2-one
CID 20443023
2-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-1-phenylethan-1-one
CID 20443040
Elucaine
CID 32331
1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylbut-3-en-1-yl)piperazine
CID 24825327
1-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-3-phenylpropan-2-one
CID 24825329
1-(2-Benzylprop-2-en-1-yl)-4-[2-(diphenylmethoxy)ethyl]piperazine
CID 24825331
2-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylethan-1-one
CID 24825334

Frequently Asked Questions

What is the IUPAC name of 3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one?
The IUPAC name of 3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one (CID 10693838) is 3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one?
The canonical SMILES for 3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one is C1CN(CCN1CCC(=O)C2=CC=CC=C2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4.
What is the InChIKey of 3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one?
The InChIKey is RBFITAWVAXQBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c31-27(24-10-4-1-5-11-24)16-17-29-18-20-30(21-19-29)22-23-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,28H,16-23H2.
What are the key properties of 3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one?
3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one has a molecular weight of 428.60 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one is sourced from PubChem (CID 10693838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).