ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate

C17H32N2O2 — CID 78964155

IUPACethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-3-8-16(17(20)21-4-2)19-13-9-15(10-14-19)18-11-6-5-7-12-18/h15-16H,3-14H2,1-2H3
InChIKeyDMCBAUKOWQPKRH-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.67
Rot. Bonds6

About ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate

ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate (PubChem CID 78964155) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate
PubChem CID78964155
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-3-8-16(17(20)21-4-2)19-13-9-15(10-14-19)18-11-6-5-7-12-18/h15-16H,3-14H2,1-2H3
InChIKeyDMCBAUKOWQPKRH-UHFFFAOYSA-N
XLogP2.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]butanoate
CID 124776571
ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
CID 95346550
ethyl 2-(4-methylazepan-1-yl)pentanoate
CID 79002816
methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate
CID 115618301
ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818
2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide
CID 63571373
ethyl 2-(4-methylpiperazin-1-yl)pentanoate
CID 78964984
ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate
CID 103898050
ethyl (2R)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pentanoate
CID 95353154
ethyl 2-thiomorpholin-4-ylpentanoate
CID 78964920
ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate
CID 83049640
ethyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 83048861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate?
The IUPAC name of ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate (CID 78964155) is ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate?
The canonical SMILES for ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate is CCCC(C(=O)OCC)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate?
The InChIKey is DMCBAUKOWQPKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-8-16(17(20)21-4-2)19-13-9-15(10-14-19)18-11-6-5-7-12-18/h15-16H,3-14H2,1-2H3.
What are the key properties of ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate?
ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate has a molecular weight of 296.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate is sourced from PubChem (CID 78964155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).