methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate

C13H24N2O2 — CID 60745212

IUPACmethyl 3-(4-cyclopentylpiperazin-1-yl)propanoate
SMILESCOC(=O)CCN1CCN(C2CCCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-17-13(16)6-7-14-8-10-15(11-9-14)12-4-2-3-5-12/h12H,2-11H2,1H3
InChIKeyCLLPERRFQHCTFA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds4

About methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate

methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate (PubChem CID 60745212) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-cyclopentylpiperazin-1-yl)propanoate
PubChem CID60745212
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 3-(4-cyclopentylpiperazin-1-yl)propanoate
SMILESCOC(=O)CCN1CCN(C2CCCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-17-13(16)6-7-14-8-10-15(11-9-14)12-4-2-3-5-12/h12H,2-11H2,1H3
InChIKeyCLLPERRFQHCTFA-UHFFFAOYSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-piperidin-1-ylpropanoate
CID 566577
1-Piperidinepropionic acid, 2-methyl-, methyl ester, hydrochloride
CID 20833836
Methyl 3-(4-Methylpiperazin-1-yl)propanoate
CID 12203350
Methyl 3-(2-methylpiperidin-1-yl)propanoate
CID 416350
Methyl 3-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-2-fluoropropanoate
CID 72129909
methyl (2S)-3-[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-2-fluoropropanoate
CID 96095132
methyl (2R)-3-[4-[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-2-fluoropropanoate
CID 98772364
methyl (2R)-3-[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-2-fluoropropanoate
CID 98772365
methyl (2S)-3-[(1-ethylpiperidin-4-yl)-methylamino]-2-fluoropropanoate
CID 100644073
methyl (2R)-3-[(1-ethylpiperidin-4-yl)-methylamino]-2-fluoropropanoate
CID 100644085
Methyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate
CID 114280347
Methyl 3-[(1-ethylpiperidin-4-yl)-methylamino]-2-fluoropropanoate
CID 121521796

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate (CID 60745212) is methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate is COC(=O)CCN1CCN(C2CCCC2)CC1.
What is the InChIKey of methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate?
The InChIKey is CLLPERRFQHCTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-13(16)6-7-14-8-10-15(11-9-14)12-4-2-3-5-12/h12H,2-11H2,1H3.
What are the key properties of methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate?
methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate has a molecular weight of 240.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate is sourced from PubChem (CID 60745212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).