diethyl 2-(3-piperidin-1-ylpropyl)butanedioate

C16H29NO4 — CID 90300751

IUPACdiethyl 2-(3-piperidin-1-ylpropyl)butanedioate
SMILESCCOC(=O)CC(CCCN1CCCCC1)C(=O)OCC
InChIInChI=1S/C16H29NO4/c1-3-20-15(18)13-14(16(19)21-4-2)9-8-12-17-10-6-5-7-11-17/h14H,3-13H2,1-2H3
InChIKeyUFWWOTUADFFHOJ-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.38
Rot. Bonds9

About diethyl 2-(3-piperidin-1-ylpropyl)butanedioate

diethyl 2-(3-piperidin-1-ylpropyl)butanedioate (PubChem CID 90300751) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is diethyl 2-(3-piperidin-1-ylpropyl)butanedioate.

Molecular Properties

Compound Namediethyl 2-(3-piperidin-1-ylpropyl)butanedioate
PubChem CID90300751
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Namediethyl 2-(3-piperidin-1-ylpropyl)butanedioate
SMILESCCOC(=O)CC(CCCN1CCCCC1)C(=O)OCC
InChIInChI=1S/C16H29NO4/c1-3-20-15(18)13-14(16(19)21-4-2)9-8-12-17-10-6-5-7-11-17/h14H,3-13H2,1-2H3
InChIKeyUFWWOTUADFFHOJ-UHFFFAOYSA-N
XLogP2.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-piperidin-1-ylbutanoate
CID 14044356
diethyl 2-(3-aminopropyl)butanedioate
CID 90300606
diethyl 2-octylbutanedioate
CID 15054026
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
7-(azepan-1-yl)-3-[(Z)-octadec-9-enoxy]carbonylheptanoic acid
CID 159040090
ethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate
CID 82322180
ethyl 3-hydroxy-4-(3-pyrrolidin-1-ylpropylamino)butanoate
CID 103250625
ethyl 4-(azocan-1-yl)-3-hydroxybutanoate
CID 82777815
ethyl 2-(azocan-1-yl)acetate
CID 25219274
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
tetraethyl pentane-1,2,4,5-tetracarboxylate
CID 12576810
diethyl 2-(2-piperidin-1-ylethoxy)propanedioate
CID 57233413

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(3-piperidin-1-ylpropyl)butanedioate?
The IUPAC name of diethyl 2-(3-piperidin-1-ylpropyl)butanedioate (CID 90300751) is diethyl 2-(3-piperidin-1-ylpropyl)butanedioate.
What is the SMILES notation for diethyl 2-(3-piperidin-1-ylpropyl)butanedioate?
The canonical SMILES for diethyl 2-(3-piperidin-1-ylpropyl)butanedioate is CCOC(=O)CC(CCCN1CCCCC1)C(=O)OCC.
What is the InChIKey of diethyl 2-(3-piperidin-1-ylpropyl)butanedioate?
The InChIKey is UFWWOTUADFFHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-3-20-15(18)13-14(16(19)21-4-2)9-8-12-17-10-6-5-7-11-17/h14H,3-13H2,1-2H3.
What are the key properties of diethyl 2-(3-piperidin-1-ylpropyl)butanedioate?
diethyl 2-(3-piperidin-1-ylpropyl)butanedioate has a molecular weight of 299.41 g/mol, XLogP of 2.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(3-piperidin-1-ylpropyl)butanedioate is sourced from PubChem (CID 90300751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).