2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid

C19H21N3O4 — CID 138032228

IUPAC2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H21N3O4/c23-18(24)13-26-16-6-4-14(5-7-16)19(25)21-15-8-11-22(12-9-15)17-3-1-2-10-20-17/h1-7,10,15H,8-9,11-13H2,(H,21,25)(H,23,24)
InChIKeyJDGBPHHWIWFURA-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.94
Rot. Bonds6

About 2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid

2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid (PubChem CID 138032228) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid
PubChem CID138032228
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H21N3O4/c23-18(24)13-26-16-6-4-14(5-7-16)19(25)21-15-8-11-22(12-9-15)17-3-1-2-10-20-17/h1-7,10,15H,8-9,11-13H2,(H,21,25)(H,23,24)
InChIKeyJDGBPHHWIWFURA-UHFFFAOYSA-N
XLogP1.94
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate
CID 55776583
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246
N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112731973
6-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 86989964
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid
CID 64895091
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid
CID 136556476
N-cyclopentyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249585
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid (CID 138032228) is 2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid is O=C(O)COc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid?
The InChIKey is JDGBPHHWIWFURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-18(24)13-26-16-6-4-14(5-7-16)19(25)21-15-8-11-22(12-9-15)17-3-1-2-10-20-17/h1-7,10,15H,8-9,11-13H2,(H,21,25)(H,23,24).
What are the key properties of 2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid?
2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid has a molecular weight of 355.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 138032228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).