ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate

C14H26N2O2 — CID 55063212

IUPACethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-3-18-14(17)12(2)15-8-10-16(11-9-15)13-6-4-5-7-13/h12-13H,3-11H2,1-2H3
InChIKeyXEIKQMCPTACRTP-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.50
Rot. Bonds4

About ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate

ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate (PubChem CID 55063212) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate
PubChem CID55063212
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-3-18-14(17)12(2)15-8-10-16(11-9-15)13-6-4-5-7-13/h12-13H,3-11H2,1-2H3
InChIKeyXEIKQMCPTACRTP-UHFFFAOYSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate
CID 55068243
ethyl 2-piperidin-1-ylpropanoate;methanamine
CID 143433031
ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate
CID 79935337
ethyl 2-(3-methylpiperidin-1-yl)propanoate
CID 25219169
1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid
CID 17369821
2-(4-cyclopentylpiperazin-1-yl)butanoic acid
CID 62368953
ethyl (2R)-2-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]butanoate
CID 124776571
(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 94062189
ethyl 2-(3-aminoazetidin-1-yl)propanoate
CID 65249905
ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
(2R)-2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide
CID 1439550
ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate
CID 78964155

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate?
The IUPAC name of ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate (CID 55063212) is ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate is CCOC(=O)C(C)N1CCN(C2CCCC2)CC1.
What is the InChIKey of ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate?
The InChIKey is XEIKQMCPTACRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-18-14(17)12(2)15-8-10-16(11-9-15)13-6-4-5-7-13/h12-13H,3-11H2,1-2H3.
What are the key properties of ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate?
ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate has a molecular weight of 254.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate is sourced from PubChem (CID 55063212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).