2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid

C18H18N2O4 — CID 122055245

IUPAC2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N2CCC(Oc3ccccc3)CC2)c1
InChIInChI=1S/C18H18N2O4/c21-17(16-12-13(18(22)23)6-9-19-16)20-10-7-15(8-11-20)24-14-4-2-1-3-5-14/h1-6,9,12,15H,7-8,10-11H2,(H,22,23)
InChIKeyKPXFMZWBVJJSQG-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.46
Rot. Bonds4

About 2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid

2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid (PubChem CID 122055245) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
PubChem CID122055245
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N2CCC(Oc3ccccc3)CC2)c1
InChIInChI=1S/C18H18N2O4/c21-17(16-12-13(18(22)23)6-9-19-16)20-10-7-15(8-11-20)24-14-4-2-1-3-5-14/h1-6,9,12,15H,7-8,10-11H2,(H,22,23)
InChIKeyKPXFMZWBVJJSQG-UHFFFAOYSA-N
XLogP2.46
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055905
(5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 78949980
(5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60954681
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056069
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055264
2-(3-benzylpyrrolidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055218
2-[3-(3-methylbutoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055980
2-(4-tert-butylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055710
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid (CID 122055245) is 2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)N2CCC(Oc3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid?
The InChIKey is KPXFMZWBVJJSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17(16-12-13(18(22)23)6-9-19-16)20-10-7-15(8-11-20)24-14-4-2-1-3-5-14/h1-6,9,12,15H,7-8,10-11H2,(H,22,23).
What are the key properties of 2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid?
2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 122055245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).