2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid

C13H21NO4 — CID 62759578

IUPAC2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)C2CCCOC2)C1
InChIInChI=1S/C13H21NO4/c15-12(16)7-10-3-1-5-14(8-10)13(17)11-4-2-6-18-9-11/h10-11H,1-9H2,(H,15,16)
InChIKeyXVJMBUGNTCHIEI-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.13
Rot. Bonds3

About 2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid

2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 62759578) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid
PubChem CID62759578
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)C2CCCOC2)C1
InChIInChI=1S/C13H21NO4/c15-12(16)7-10-3-1-5-14(8-10)13(17)11-4-2-6-18-9-11/h10-11H,1-9H2,(H,15,16)
InChIKeyXVJMBUGNTCHIEI-UHFFFAOYSA-N
XLogP1.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone
CID 62759775
[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride
CID 119464992
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
CID 62691115
(3S)-1-(oxane-3-carbonyl)piperidine-3-carboxylic acid
CID 81125597
2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515362
[3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone
CID 62759965
(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81118874
2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid
CID 66235676
2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 63005504
2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid
CID 62691356
(4-aminopiperidin-1-yl)-(oxan-3-yl)methanone
CID 62760326
2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid
CID 62690444

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid (CID 62759578) is 2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)C2CCCOC2)C1.
What is the InChIKey of 2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is XVJMBUGNTCHIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-12(16)7-10-3-1-5-14(8-10)13(17)11-4-2-6-18-9-11/h10-11H,1-9H2,(H,15,16).
What are the key properties of 2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 255.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62759578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).