2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid

C16H20N2O5 — CID 155601035

IUPAC2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid
SMILESO=C(O)c1c(O)cccc1OC1CN(C(=O)C2CCNCC2)C1
InChIInChI=1S/C16H20N2O5/c19-12-2-1-3-13(14(12)16(21)22)23-11-8-18(9-11)15(20)10-4-6-17-7-5-10/h1-3,10-11,17,19H,4-9H2,(H,21,22)
InChIKeyKCZPBHMWPLDUNI-UHFFFAOYSA-N
MW320.34 g/mol
LogP0.68
Rot. Bonds4

About 2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid

2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid (PubChem CID 155601035) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid
PubChem CID155601035
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid
SMILESO=C(O)c1c(O)cccc1OC1CN(C(=O)C2CCNCC2)C1
InChIInChI=1S/C16H20N2O5/c19-12-2-1-3-13(14(12)16(21)22)23-11-8-18(9-11)15(20)10-4-6-17-7-5-10/h1-3,10-11,17,19H,4-9H2,(H,21,22)
InChIKeyKCZPBHMWPLDUNI-UHFFFAOYSA-N
XLogP0.68
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-boronoethyl)-2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid
CID 152568012
2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid
CID 155601083
2-hydroxy-6-[1-(2-piperazin-2-ylacetyl)azetidin-3-yl]oxybenzoic acid
CID 155601073
[(4R)-azepan-4-yl]-[3-(3-chlorophenoxy)azetidin-1-yl]methanone
CID 125167614
disodium bis(3,3-dihydroxy-9-[1-(pyrrolidine-3-carbonyl)azetidin-3-yl]oxy-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(6),7,9-triene-10-carboxylic acid)
CID 169053754
2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid
CID 164883501
2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid
CID 155601036
2-[1-[2-[4-(carboxymethyl)triazol-1-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid
CID 155601077
2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid
CID 155601075
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119307957
[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72893956
2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 119331005

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid?
The IUPAC name of 2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid (CID 155601035) is 2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid.
What is the SMILES notation for 2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid?
The canonical SMILES for 2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid is O=C(O)c1c(O)cccc1OC1CN(C(=O)C2CCNCC2)C1.
What is the InChIKey of 2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid?
The InChIKey is KCZPBHMWPLDUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c19-12-2-1-3-13(14(12)16(21)22)23-11-8-18(9-11)15(20)10-4-6-17-7-5-10/h1-3,10-11,17,19H,4-9H2,(H,21,22).
What are the key properties of 2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid?
2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid has a molecular weight of 320.34 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid is sourced from PubChem (CID 155601035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).