3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one

C33H34N2O3 — CID 70365773

IUPAC3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one
SMILESO=C(Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1)C(c1ccccc1)N1CCNCC1
InChIInChI=1S/C33H34N2O3/c36-31(33(28-14-8-3-9-15-28)35-20-18-34-19-21-35)22-29-16-17-30(37-24-26-10-4-1-5-11-26)23-32(29)38-25-27-12-6-2-7-13-27/h1-17,23,33-34H,18-22,24-25H2
InChIKeyWPFBQVWTHYGMMN-UHFFFAOYSA-N
MW506.65 g/mol
LogP5.60
Rot. Bonds11

About 3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one

3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one (PubChem CID 70365773) has the molecular formula C33H34N2O3 and a molecular weight of 506.65 g/mol. Its IUPAC name is 3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one.

Molecular Properties

Compound Name3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one
PubChem CID70365773
Molecular FormulaC33H34N2O3
Molecular Weight506.65 g/mol
Exact Mass506.26
IUPAC Name3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one
SMILESO=C(Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1)C(c1ccccc1)N1CCNCC1
InChIInChI=1S/C33H34N2O3/c36-31(33(28-14-8-3-9-15-28)35-20-18-34-19-21-35)22-29-16-17-30(37-24-26-10-4-1-5-11-26)23-32(29)38-25-27-12-6-2-7-13-27/h1-17,23,33-34H,18-22,24-25H2
InChIKeyWPFBQVWTHYGMMN-UHFFFAOYSA-N
XLogP5.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171281175
1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine
CID 171293821
1-[(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butyl]piperazine
CID 171172354
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
CID 4209262
1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine
CID 171281179
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171283032
(2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate
CID 11732990
1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82263325
(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183535
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171283033

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one?
The IUPAC name of 3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one (CID 70365773) is 3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one.
What is the SMILES notation for 3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one?
The canonical SMILES for 3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one is O=C(Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1)C(c1ccccc1)N1CCNCC1.
What is the InChIKey of 3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one?
The InChIKey is WPFBQVWTHYGMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O3/c36-31(33(28-14-8-3-9-15-28)35-20-18-34-19-21-35)22-29-16-17-30(37-24-26-10-4-1-5-11-26)23-32(29)38-25-27-12-6-2-7-13-27/h1-17,23,33-34H,18-22,24-25H2.
What are the key properties of 3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one?
3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one has a molecular weight of 506.65 g/mol, XLogP of 5.60, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one is sourced from PubChem (CID 70365773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).