2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid

C14H22N2O4 — CID 79605864

IUPAC2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)N2CC3CCC(C2)O3)CC1
InChIInChI=1S/C14H22N2O4/c17-13(18)7-10-3-5-15(6-4-10)14(19)16-8-11-1-2-12(9-16)20-11/h10-12H,1-9H2,(H,17,18)
InChIKeyOSHJXKBHUSPSLI-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.16
Rot. Bonds2

About 2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid

2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 79605864) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid
PubChem CID79605864
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)N2CC3CCC(C2)O3)CC1
InChIInChI=1S/C14H22N2O4/c17-13(18)7-10-3-5-15(6-4-10)14(19)16-8-11-1-2-12(9-16)20-11/h10-12H,1-9H2,(H,17,18)
InChIKeyOSHJXKBHUSPSLI-UHFFFAOYSA-N
XLogP1.16
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid
CID 81464306
morpholin-4-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 115667104
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697
2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64618608
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 114798908
2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 102963039
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 114538676
2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64618204

Frequently Asked Questions

What is the IUPAC name of 2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid (CID 79605864) is 2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)N2CC3CCC(C2)O3)CC1.
What is the InChIKey of 2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is OSHJXKBHUSPSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-13(18)7-10-3-5-15(6-4-10)14(19)16-8-11-1-2-12(9-16)20-11/h10-12H,1-9H2,(H,17,18).
What are the key properties of 2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79605864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).