2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid

C12H19NO5 — CID 54899293

IUPAC2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)C1COCCO1
InChIInChI=1S/C12H19NO5/c14-11(15)7-9-3-1-2-4-13(9)12(16)10-8-17-5-6-18-10/h9-10H,1-8H2,(H,14,15)
InChIKeyFKQYAZRWOWSSCV-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.26
Rot. Bonds3

About 2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid

2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 54899293) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid
PubChem CID54899293
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)C1COCCO1
InChIInChI=1S/C12H19NO5/c14-11(15)7-9-3-1-2-4-13(9)12(16)10-8-17-5-6-18-10/h9-10H,1-8H2,(H,14,15)
InChIKeyFKQYAZRWOWSSCV-UHFFFAOYSA-N
XLogP0.26
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-bromoethyl)piperidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 80665764
2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid
CID 104855615
2-[4-(1,4-dioxane-2-carbonyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80518710
2-[4-[(2R)-oxolane-2-carbonyl]morpholin-3-yl]acetic acid
CID 104855859
2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid
CID 81324861
3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid
CID 62217275
1,4-dioxan-2-yl-(2-piperidin-4-ylazepan-1-yl)methanone
CID 64612086
2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid
CID 54899519
2-[(2S)-1-[(2R)-morpholine-2-carbonyl]piperidin-2-yl]acetamide
CID 124699206
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 102783553
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370369

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid (CID 54899293) is 2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)C1COCCO1.
What is the InChIKey of 2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is FKQYAZRWOWSSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c14-11(15)7-9-3-1-2-4-13(9)12(16)10-8-17-5-6-18-10/h9-10H,1-8H2,(H,14,15).
What are the key properties of 2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).