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

C20H23N3O4 — CID 18924126

IUPAC2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)CC2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C20H23N3O4/c24-19(22-16-1-3-18(4-2-16)27-14-20(25)26)13-15-7-11-23(12-8-15)17-5-9-21-10-6-17/h1-6,9-10,15H,7-8,11-14H2,(H,22,24)(H,25,26)
InChIKeyZTRVIMHOZQVJSF-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.79
Rot. Bonds7

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

2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid (PubChem CID 18924126) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid
PubChem CID18924126
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)CC2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C20H23N3O4/c24-19(22-16-1-3-18(4-2-16)27-14-20(25)26)13-15-7-11-23(12-8-15)17-5-9-21-10-6-17/h1-6,9-10,15H,7-8,11-14H2,(H,22,24)(H,25,26)
InChIKeyZTRVIMHOZQVJSF-UHFFFAOYSA-N
XLogP2.79
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-2-(1-pyridin-4-ylpiperidin-4-yl)acetamide
CID 140968172
2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid
CID 64612475
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728
2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide
CID 11998404
2-(1-pyridin-4-ylpiperidin-4-yl)acetate
CID 18918250
N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 121107711
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
2-(1-pyridin-4-ylpiperidin-4-yl)acetyl chloride;hydrochloride
CID 22721805
2-[4-[[2-(ethylamino)acetyl]amino]phenoxy]acetic acid
CID 63745882
2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
CID 61058468
2-[4-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]phenoxy]acetic acid;hydrochloride
CID 19602881
2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride
CID 163326658

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid (CID 18924126) is 2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)CC2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of 2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid?
The InChIKey is ZTRVIMHOZQVJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-19(22-16-1-3-18(4-2-16)27-14-20(25)26)13-15-7-11-23(12-8-15)17-5-9-21-10-6-17/h1-6,9-10,15H,7-8,11-14H2,(H,22,24)(H,25,26).
What are the key properties of 2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid?
2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid has a molecular weight of 369.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 18924126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).