propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate

C32H40N2O3 — CID 91481806

IUPACpropyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
SMILESCCCOC(=O)C(C)(CCCN1CCN(c2cccc(-c3cccc(OC)c3)c2)CC1)c1ccccc1
InChIInChI=1S/C32H40N2O3/c1-4-23-37-31(35)32(2,28-13-6-5-7-14-28)17-10-18-33-19-21-34(22-20-33)29-15-8-11-26(24-29)27-12-9-16-30(25-27)36-3/h5-9,11-16,24-25H,4,10,17-23H2,1-3H3
InChIKeyOUYIINWVJOUBEI-UHFFFAOYSA-N
MW500.68 g/mol
LogP6.18
Rot. Bonds11

About propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate

propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate (PubChem CID 91481806) has the molecular formula C32H40N2O3 and a molecular weight of 500.68 g/mol. Its IUPAC name is propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate.

Molecular Properties

Compound Namepropyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
PubChem CID91481806
Molecular FormulaC32H40N2O3
Molecular Weight500.68 g/mol
Exact Mass500.30
IUPAC Namepropyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
SMILESCCCOC(=O)C(C)(CCCN1CCN(c2cccc(-c3cccc(OC)c3)c2)CC1)c1ccccc1
InChIInChI=1S/C32H40N2O3/c1-4-23-37-31(35)32(2,28-13-6-5-7-14-28)17-10-18-33-19-21-34(22-20-33)29-15-8-11-26(24-29)27-12-9-16-30(25-27)36-3/h5-9,11-16,24-25H,4,10,17-23H2,1-3H3
InChIKeyOUYIINWVJOUBEI-UHFFFAOYSA-N
XLogP6.18
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.68
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate with MolForge

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Related Compounds

propyl 2-methyl-2-phenyl-5-[4-(3-phenylphenyl)piperazin-1-yl]pentanoate
CID 139943243
propyl 2-methyl-5-[4-[3-(4-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91418187
propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 91489162
propyl 2-methyl-5-[4-[3-(2-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91501228
methyl 2-methyl-2-phenyl-5-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]pentanoate
CID 90972319
methyl 2-ethyl-5-[4-[3-(4-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 139943242
propyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 139943265
ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate
CID 46183484
methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 15515475
ethyl 2-methyl-2-phenyl-5-[4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]pentanoate
CID 91108888
propan-2-yl 5-[4-[3-(3-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 90923403
ethyl 2-ethyl-5-[4-[3-(3-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91085333

Frequently Asked Questions

What is the IUPAC name of propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate?
The IUPAC name of propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate (CID 91481806) is propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate.
What is the SMILES notation for propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate?
The canonical SMILES for propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate is CCCOC(=O)C(C)(CCCN1CCN(c2cccc(-c3cccc(OC)c3)c2)CC1)c1ccccc1.
What is the InChIKey of propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate?
The InChIKey is OUYIINWVJOUBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O3/c1-4-23-37-31(35)32(2,28-13-6-5-7-14-28)17-10-18-33-19-21-34(22-20-33)29-15-8-11-26(24-29)27-12-9-16-30(25-27)36-3/h5-9,11-16,24-25H,4,10,17-23H2,1-3H3.
What are the key properties of propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate?
propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate has a molecular weight of 500.68 g/mol, XLogP of 6.18, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate is sourced from PubChem (CID 91481806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).