4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid

C15H28N2O3 — CID 66254024

IUPAC4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(CCN1CCCCC1)C1COCC1C(=O)O
InChIInChI=1S/C15H28N2O3/c1-2-6-17(10-9-16-7-4-3-5-8-16)14-12-20-11-13(14)15(18)19/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyLRGRYLMWWANXCJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.28
Rot. Bonds7

About 4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid

4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 66254024) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID66254024
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(CCN1CCCCC1)C1COCC1C(=O)O
InChIInChI=1S/C15H28N2O3/c1-2-6-17(10-9-16-7-4-3-5-8-16)14-12-20-11-13(14)15(18)19/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyLRGRYLMWWANXCJ-UHFFFAOYSA-N
XLogP1.28
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid
CID 66244916
4-[but-3-ynyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253813
4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 114191556
4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252514
4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252267
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[4-methylsulfanylbutyl(propyl)amino]oxolane-3-carboxylic acid
CID 103090480
4-[2-hydroxybutyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253439
4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66244930
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66252296
4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 114558026
4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66252684

Frequently Asked Questions

What is the IUPAC name of 4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid (CID 66254024) is 4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(CCN1CCCCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is LRGRYLMWWANXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-6-17(10-9-16-7-4-3-5-8-16)14-12-20-11-13(14)15(18)19/h13-14H,2-12H2,1H3,(H,18,19).
What are the key properties of 4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid?
4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66254024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).