ethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate

C15H28N2O2 — CID 22674987

IUPACethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-2-19-15(18)8-13-16-11-6-14(7-12-16)17-9-4-3-5-10-17/h14H,2-13H2,1H3
InChIKeyYYGZWIIFDAWSIB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds5

About ethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate

ethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate (PubChem CID 22674987) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate
PubChem CID22674987
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-2-19-15(18)8-13-16-11-6-14(7-12-16)17-9-4-3-5-10-17/h14H,2-13H2,1H3
InChIKeyYYGZWIIFDAWSIB-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate (CID 22674987) is ethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate is CCOC(=O)CCN1CCC(N2CCCCC2)CC1.
What is the InChIKey of ethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate?
The InChIKey is YYGZWIIFDAWSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-19-15(18)8-13-16-11-6-14(7-12-16)17-9-4-3-5-10-17/h14H,2-13H2,1H3.
What are the key properties of ethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate?
ethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate has a molecular weight of 268.40 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-piperidin-1-ylpiperidin-1-yl)propanoate is sourced from PubChem (CID 22674987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).