2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid

C17H22N2O5 — CID 155601083

IUPAC2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid
SMILESO=C(O)c1c(O)cccc1OC1CN(C(=O)CC2CCCNC2)C1
InChIInChI=1S/C17H22N2O5/c20-13-4-1-5-14(16(13)17(22)23)24-12-9-19(10-12)15(21)7-11-3-2-6-18-8-11/h1,4-5,11-12,18,20H,2-3,6-10H2,(H,22,23)
InChIKeyKEKMDGLEIYEVMS-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.07
Rot. Bonds5

About 2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid

2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid (PubChem CID 155601083) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid
PubChem CID155601083
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid
SMILESO=C(O)c1c(O)cccc1OC1CN(C(=O)CC2CCCNC2)C1
InChIInChI=1S/C17H22N2O5/c20-13-4-1-5-14(16(13)17(22)23)24-12-9-19(10-12)15(21)7-11-3-2-6-18-8-11/h1,4-5,11-12,18,20H,2-3,6-10H2,(H,22,23)
InChIKeyKEKMDGLEIYEVMS-UHFFFAOYSA-N
XLogP1.07
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-6-[1-(2-piperazin-2-ylacetyl)azetidin-3-yl]oxybenzoic acid
CID 155601073
2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid
CID 155601035
2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid
CID 164883501
1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone
CID 103532971
1-(4-methoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62690713
1-(2-phenylmorpholin-4-yl)-2-piperidin-3-ylethanone
CID 62676153
2-[1-[(2S)-2-amino-2-(deuteriomethyl)-3-hydroxypropanoyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid
CID 155601076
2-[1-[2-[4-(carboxymethyl)triazol-1-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid
CID 155601077
1-(4-ethoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62691409
1-(3-ethylpiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62689348
2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63153568
1-(1-oxo-1,4-thiazinan-4-yl)-2-piperidin-3-ylethanone
CID 62691071

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid?
The IUPAC name of 2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid (CID 155601083) is 2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid.
What is the SMILES notation for 2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid?
The canonical SMILES for 2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid is O=C(O)c1c(O)cccc1OC1CN(C(=O)CC2CCCNC2)C1.
What is the InChIKey of 2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid?
The InChIKey is KEKMDGLEIYEVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c20-13-4-1-5-14(16(13)17(22)23)24-12-9-19(10-12)15(21)7-11-3-2-6-18-8-11/h1,4-5,11-12,18,20H,2-3,6-10H2,(H,22,23).
What are the key properties of 2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid?
2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid has a molecular weight of 334.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid is sourced from PubChem (CID 155601083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).