methyl 2-(4-phenylpiperazin-1-yl)pentanoate

C16H24N2O2 — CID 43906551

IUPACmethyl 2-(4-phenylpiperazin-1-yl)pentanoate
SMILESCCCC(C(=O)OC)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-7-15(16(19)20-2)18-12-10-17(11-13-18)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-13H2,1-2H3
InChIKeyKIQSDJCPVSXBOQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.15
Rot. Bonds5

About methyl 2-(4-phenylpiperazin-1-yl)pentanoate

methyl 2-(4-phenylpiperazin-1-yl)pentanoate (PubChem CID 43906551) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 2-(4-phenylpiperazin-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(4-phenylpiperazin-1-yl)pentanoate
PubChem CID43906551
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 2-(4-phenylpiperazin-1-yl)pentanoate
SMILESCCCC(C(=O)OC)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-7-15(16(19)20-2)18-12-10-17(11-13-18)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-13H2,1-2H3
InChIKeyKIQSDJCPVSXBOQ-UHFFFAOYSA-N
XLogP2.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-phenylpiperazin-1-yl)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate
CID 102038565
ethyl 4-(1,3-dioxoisoindol-2-yl)-2-(4-phenylpiperazin-1-yl)butanoate
CID 10622087
methyl (2S)-2-[4-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]piperazin-1-yl]-3-phenylpropanoate
CID 11090885
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate
CID 78964151
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
CID 43831496
methyl 2-[4-[4-(butanoylamino)phenyl]piperazin-1-yl]-2-phenylacetate
CID 16666781
methyl 2-(1,3-dihydroisoindol-2-yl)hexanoate
CID 113246431
methyl (2S)-4-(6-azaspiro[2.5]octan-6-yl)-2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)butanoate
CID 143932731
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
3-(2-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 133241529

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-phenylpiperazin-1-yl)pentanoate?
The IUPAC name of methyl 2-(4-phenylpiperazin-1-yl)pentanoate (CID 43906551) is methyl 2-(4-phenylpiperazin-1-yl)pentanoate.
What is the SMILES notation for methyl 2-(4-phenylpiperazin-1-yl)pentanoate?
The canonical SMILES for methyl 2-(4-phenylpiperazin-1-yl)pentanoate is CCCC(C(=O)OC)N1CCN(c2ccccc2)CC1.
What is the InChIKey of methyl 2-(4-phenylpiperazin-1-yl)pentanoate?
The InChIKey is KIQSDJCPVSXBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-7-15(16(19)20-2)18-12-10-17(11-13-18)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-13H2,1-2H3.
What are the key properties of methyl 2-(4-phenylpiperazin-1-yl)pentanoate?
methyl 2-(4-phenylpiperazin-1-yl)pentanoate has a molecular weight of 276.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-phenylpiperazin-1-yl)pentanoate is sourced from PubChem (CID 43906551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).