1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid

C19H20N2O4 — CID 120512544

IUPAC1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)O)C2)cc1-c1ccccn1
InChIInChI=1S/C19H20N2O4/c1-25-17-8-7-13(11-15(17)16-6-2-3-9-20-16)18(22)21-10-4-5-14(12-21)19(23)24/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,23,24)
InChIKeyTUSZVUAUPCIOGE-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.69
Rot. Bonds4

About 1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid

1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid (PubChem CID 120512544) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid
PubChem CID120512544
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)O)C2)cc1-c1ccccn1
InChIInChI=1S/C19H20N2O4/c1-25-17-8-7-13(11-15(17)16-6-2-3-9-20-16)18(22)21-10-4-5-14(12-21)19(23)24/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,23,24)
InChIKeyTUSZVUAUPCIOGE-UHFFFAOYSA-N
XLogP2.69
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43241951
1-(3-ethoxy-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 45429428
1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid
CID 120512590
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301
(3S)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113504
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid (CID 120512544) is 1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid is COc1ccc(C(=O)N2CCCC(C(=O)O)C2)cc1-c1ccccn1.
What is the InChIKey of 1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid?
The InChIKey is TUSZVUAUPCIOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-25-17-8-7-13(11-15(17)16-6-2-3-9-20-16)18(22)21-10-4-5-14(12-21)19(23)24/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,23,24).
What are the key properties of 1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid?
1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 120512544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).