2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid

C13H22N2O5 — CID 63875942

IUPAC2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)NC2CCCOC2)CC1
InChIInChI=1S/C13H22N2O5/c16-12(17)9-20-11-3-5-15(6-4-11)13(18)14-10-2-1-7-19-8-10/h10-11H,1-9H2,(H,14,18)(H,16,17)
InChIKeyRIWWXXFGRQHRPW-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.44
Rot. Bonds4

About 2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid

2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63875942) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
PubChem CID63875942
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)NC2CCCOC2)CC1
InChIInChI=1S/C13H22N2O5/c16-12(17)9-20-11-3-5-15(6-4-11)13(18)14-10-2-1-7-19-8-10/h10-11H,1-9H2,(H,14,18)(H,16,17)
InChIKeyRIWWXXFGRQHRPW-UHFFFAOYSA-N
XLogP0.44
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877492
N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide
CID 142539991
2-[1-[(2-methylcyclopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875597
(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120821
4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 103839211
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
oxan-3-ylcarbamic acid
CID 68631624
[(3S)-oxan-3-yl]carbamic acid
CID 141364908
5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 126780814
2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875575
2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875053
2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 106239137

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid (CID 63875942) is 2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)NC2CCCOC2)CC1.
What is the InChIKey of 2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is RIWWXXFGRQHRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c16-12(17)9-20-11-3-5-15(6-4-11)13(18)14-10-2-1-7-19-8-10/h10-11H,1-9H2,(H,14,18)(H,16,17).
What are the key properties of 2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 286.33 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63875942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).