2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid

C14H19N3O4 — CID 63746907

IUPAC2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)NC1CCNCC1
InChIInChI=1S/C14H19N3O4/c18-13(19)9-21-12-4-2-1-3-11(12)17-14(20)16-10-5-7-15-8-6-10/h1-4,10,15H,5-9H2,(H,18,19)(H2,16,17,20)
InChIKeyBGHAEXCXKZFREY-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.02
Rot. Bonds5

About 2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid

2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid (PubChem CID 63746907) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid
PubChem CID63746907
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)NC1CCNCC1
InChIInChI=1S/C14H19N3O4/c18-13(19)9-21-12-4-2-1-3-11(12)17-14(20)16-10-5-7-15-8-6-10/h1-4,10,15H,5-9H2,(H,18,19)(H2,16,17,20)
InChIKeyBGHAEXCXKZFREY-UHFFFAOYSA-N
XLogP1.02
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid
CID 63746736
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901156
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea
CID 43369639
4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094575
2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid
CID 79385111
2-(2-methoxyphenoxy)-N-piperidin-4-ylacetamide
CID 28810945
2-(2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 110488066
2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340537
1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea
CID 110890850

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid (CID 63746907) is 2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid is O=C(O)COc1ccccc1NC(=O)NC1CCNCC1.
What is the InChIKey of 2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is BGHAEXCXKZFREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-13(19)9-21-12-4-2-1-3-11(12)17-14(20)16-10-5-7-15-8-6-10/h1-4,10,15H,5-9H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid?
2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 63746907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).