2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid

C20H22N2O6 — CID 119178015

IUPAC2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)COc2cccc(NC(=O)c3ccco3)c2)CC1
InChIInChI=1S/C20H22N2O6/c23-18(22-8-6-14(7-9-22)11-19(24)25)13-28-16-4-1-3-15(12-16)21-20(26)17-5-2-10-27-17/h1-5,10,12,14H,6-9,11,13H2,(H,21,26)(H,24,25)
InChIKeyBTZUCHRRAOBZMQ-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.62
Rot. Bonds7

About 2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid

2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid (PubChem CID 119178015) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid
PubChem CID119178015
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)COc2cccc(NC(=O)c3ccco3)c2)CC1
InChIInChI=1S/C20H22N2O6/c23-18(22-8-6-14(7-9-22)11-19(24)25)13-28-16-4-1-3-15(12-16)21-20(26)17-5-2-10-27-17/h1-5,10,12,14H,6-9,11,13H2,(H,21,26)(H,24,25)
InChIKeyBTZUCHRRAOBZMQ-UHFFFAOYSA-N
XLogP2.62
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid
CID 119354069
N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide
CID 46407153
6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174620
(3aS,6aR)-2-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681885
2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid
CID 78979812
N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55953436
N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55961197
N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 55855668
N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119477145
cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676823
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
2-[1-[2-(3-nitrophenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119177958

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid (CID 119178015) is 2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)COc2cccc(NC(=O)c3ccco3)c2)CC1.
What is the InChIKey of 2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid?
The InChIKey is BTZUCHRRAOBZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c23-18(22-8-6-14(7-9-22)11-19(24)25)13-28-16-4-1-3-15(12-16)21-20(26)17-5-2-10-27-17/h1-5,10,12,14H,6-9,11,13H2,(H,21,26)(H,24,25).
What are the key properties of 2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid?
2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid has a molecular weight of 386.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).