4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid

C15H28N2O3 — CID 66244930

IUPAC4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCCCN1CCC(N(CC)C2COCC2C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-3-7-16-8-5-12(6-9-16)17(4-2)14-11-20-10-13(14)15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeySTDLHVBUVJJLOT-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.28
Rot. Bonds6

About 4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid

4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66244930) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID66244930
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCCCN1CCC(N(CC)C2COCC2C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-3-7-16-8-5-12(6-9-16)17(4-2)14-11-20-10-13(14)15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeySTDLHVBUVJJLOT-UHFFFAOYSA-N
XLogP1.28
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(thian-4-yl)amino]oxolane-3-carboxylic acid
CID 66245719
4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid
CID 66247310
4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66251556
4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid
CID 66244916
4-[(1,1-dioxothian-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 66251366
4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254024
4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid
CID 103565205
4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245727
4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid
CID 79863742
4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid
CID 106874529
4-[1-azabicyclo[3.2.1]octan-4-yl(propyl)amino]oxolane-3-carboxylic acid
CID 105366209
4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66252128

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid (CID 66244930) is 4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid is CCCN1CCC(N(CC)C2COCC2C(=O)O)CC1.
What is the InChIKey of 4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is STDLHVBUVJJLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-7-16-8-5-12(6-9-16)17(4-2)14-11-20-10-13(14)15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66244930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).