methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate

C28H33N3O2 — CID 70150689

IUPACmethyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate
SMILESCOC(=O)C(C)(CCCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1ccccc1
InChIInChI=1S/C28H33N3O2/c1-28(27(32)33-2,24-9-4-3-5-10-24)16-8-18-30-19-21-31(22-20-30)25-14-12-23(13-15-25)26-11-6-7-17-29-26/h3-7,9-15,17H,8,16,18-22H2,1-2H3
InChIKeyMHOVMUWMSHXSRG-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.78
Rot. Bonds8

About methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate

methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate (PubChem CID 70150689) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate
PubChem CID70150689
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Namemethyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate
SMILESCOC(=O)C(C)(CCCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1ccccc1
InChIInChI=1S/C28H33N3O2/c1-28(27(32)33-2,24-9-4-3-5-10-24)16-8-18-30-19-21-31(22-20-30)25-14-12-23(13-15-25)26-11-6-7-17-29-26/h3-7,9-15,17H,8,16,18-22H2,1-2H3
InChIKeyMHOVMUWMSHXSRG-UHFFFAOYSA-N
XLogP4.78
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate
CID 15515472
methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 15515475
propan-2-yl 2-methyl-2-phenyl-5-[4-(4-phenylphenyl)piperazin-1-yl]pentanoate
CID 139943267
methyl 2-methyl-2-phenyl-5-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]pentanoate
CID 90972319
propyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 139943265
ethyl 2-methyl-2-phenyl-5-[4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]pentanoate
CID 91108888
propyl 2-methyl-5-[4-[3-(4-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91418187
methyl 6-[4-(4-bromophenyl)piperazin-1-yl]-3-methyl-3-phenylhexanoate
CID 142045202
propyl 2-methyl-2-phenyl-5-[4-(3-phenylphenyl)piperazin-1-yl]pentanoate
CID 139943243
methyl 6-[4-(4-ethylphenyl)piperazin-1-yl]-3-methyl-3-phenylhexanoate
CID 142045214
2-hydroxy-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-2,2-diphenylacetamide
CID 15458689
propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 91481806

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate?
The IUPAC name of methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate (CID 70150689) is methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate?
The canonical SMILES for methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate is COC(=O)C(C)(CCCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1ccccc1.
What is the InChIKey of methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate?
The InChIKey is MHOVMUWMSHXSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-28(27(32)33-2,24-9-4-3-5-10-24)16-8-18-30-19-21-31(22-20-30)25-14-12-23(13-15-25)26-11-6-7-17-29-26/h3-7,9-15,17H,8,16,18-22H2,1-2H3.
What are the key properties of methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate?
methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate has a molecular weight of 443.59 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate is sourced from PubChem (CID 70150689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).