1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid

C19H19NO4 — CID 45429227

IUPAC1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C19H19NO4/c21-18(20-12-6-7-14(13-20)19(22)23)16-10-4-5-11-17(16)24-15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,22,23)
InChIKeyMDFNOIQCUWWFNY-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.42
Rot. Bonds4

About 1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid

1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid (PubChem CID 45429227) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid
PubChem CID45429227
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C19H19NO4/c21-18(20-12-6-7-14(13-20)19(22)23)16-10-4-5-11-17(16)24-15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,22,23)
InChIKeyMDFNOIQCUWWFNY-UHFFFAOYSA-N
XLogP3.42
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 38390849
1-[2-(2-methylprop-2-enoxy)benzoyl]piperidine-3-carboxylic acid
CID 54794321
1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47029623
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
(3S)-1-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 99638936
(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 51518671
(2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52808285

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid (CID 45429227) is 1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1.
What is the InChIKey of 1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid?
The InChIKey is MDFNOIQCUWWFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-18(20-12-6-7-14(13-20)19(22)23)16-10-4-5-11-17(16)24-15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,22,23).
What are the key properties of 1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid?
1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid has a molecular weight of 325.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 45429227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).