ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate

C27H38N2O3 — CID 46183484

IUPACethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate
SMILESCCOC(=O)C(CCCN1CCN(c2cccc(OC)c2)CC1)(c1ccccc1)C(C)C
InChIInChI=1S/C27H38N2O3/c1-5-32-26(30)27(22(2)3,23-11-7-6-8-12-23)15-10-16-28-17-19-29(20-18-28)24-13-9-14-25(21-24)31-4/h6-9,11-14,21-22H,5,10,15-20H2,1-4H3
InChIKeyIJBXCXYHQQBQET-UHFFFAOYSA-N
MW438.61 g/mol
LogP4.75
Rot. Bonds10

About ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate

ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate (PubChem CID 46183484) has the molecular formula C27H38N2O3 and a molecular weight of 438.61 g/mol. Its IUPAC name is ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Nameethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate
PubChem CID46183484
Molecular FormulaC27H38N2O3
Molecular Weight438.61 g/mol
Exact Mass438.29
IUPAC Nameethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate
SMILESCCOC(=O)C(CCCN1CCN(c2cccc(OC)c2)CC1)(c1ccccc1)C(C)C
InChIInChI=1S/C27H38N2O3/c1-5-32-26(30)27(22(2)3,23-11-7-6-8-12-23)15-10-16-28-17-19-29(20-18-28)24-13-9-14-25(21-24)31-4/h6-9,11-14,21-22H,5,10,15-20H2,1-4H3
InChIKeyIJBXCXYHQQBQET-UHFFFAOYSA-N
XLogP4.75
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate with MolForge

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Related Compounds

propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 91481806
ethyl 2-ethyl-5-[4-[3-(3-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91085333
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9348034
methyl 2-ethyl-5-[4-[3-(4-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 139943242
methyl 3-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylhexanoate
CID 142045206
ethyl 2-ethyl-5-[4-[3-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 139943290
methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 15515475
6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
CID 106799286
propyl 2-methyl-2-phenyl-5-[4-(3-phenylphenyl)piperazin-1-yl]pentanoate
CID 139943243
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
2-(4-bromophenyl)acetic acid;methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-propan-2-ylpentanoate
CID 159073817
ethyl 2-methyl-2-phenyl-5-[4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]pentanoate
CID 91108888

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate?
The IUPAC name of ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate (CID 46183484) is ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate.
What is the SMILES notation for ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate?
The canonical SMILES for ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate is CCOC(=O)C(CCCN1CCN(c2cccc(OC)c2)CC1)(c1ccccc1)C(C)C.
What is the InChIKey of ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate?
The InChIKey is IJBXCXYHQQBQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O3/c1-5-32-26(30)27(22(2)3,23-11-7-6-8-12-23)15-10-16-28-17-19-29(20-18-28)24-13-9-14-25(21-24)31-4/h6-9,11-14,21-22H,5,10,15-20H2,1-4H3.
What are the key properties of ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate?
ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate has a molecular weight of 438.61 g/mol, XLogP of 4.75, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 46183484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).