2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid

C19H20N2O6 — CID 119224814

IUPAC2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)C2CCCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C19H20N2O6/c22-17(23)12-27-14-6-3-5-13(11-14)20-18(24)15-7-1-2-9-21(15)19(25)16-8-4-10-26-16/h3-6,8,10-11,15H,1-2,7,9,12H2,(H,20,24)(H,22,23)
InChIKeyGXKFQWSJHWEJEF-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.38
Rot. Bonds6

About 2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid

2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid (PubChem CID 119224814) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid
PubChem CID119224814
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)C2CCCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C19H20N2O6/c22-17(23)12-27-14-6-3-5-13(11-14)20-18(24)15-7-1-2-9-21(15)19(25)16-8-4-10-26-16/h3-6,8,10-11,15H,1-2,7,9,12H2,(H,20,24)(H,22,23)
InChIKeyGXKFQWSJHWEJEF-UHFFFAOYSA-N
XLogP2.38
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate
CID 99589299
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
CID 60551969
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
CID 96526953
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
1-(furan-2-carbonyl)-N-[4-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
CID 55675227
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide
CID 55961635
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 94809063

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid (CID 119224814) is 2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)C2CCCCN2C(=O)c2ccco2)c1.
What is the InChIKey of 2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid?
The InChIKey is GXKFQWSJHWEJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c22-17(23)12-27-14-6-3-5-13(11-14)20-18(24)15-7-1-2-9-21(15)19(25)16-8-4-10-26-16/h3-6,8,10-11,15H,1-2,7,9,12H2,(H,20,24)(H,22,23).
What are the key properties of 2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid?
2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid has a molecular weight of 372.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 119224814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).