(3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid

C19H21NO6 — CID 125415613

IUPAC(3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)o1
InChIInChI=1S/C19H21NO6/c1-24-15-6-2-3-7-16(15)25-12-14-8-9-17(26-14)18(21)20-10-4-5-13(11-20)19(22)23/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyKFJGPFLGTPWDMB-CYBMUJFWSA-N
MW359.38 g/mol
LogP2.80
Rot. Bonds6

About (3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid

(3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid (PubChem CID 125415613) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is (3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
PubChem CID125415613
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name(3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)o1
InChIInChI=1S/C19H21NO6/c1-24-15-6-2-3-7-16(15)25-12-14-8-9-17(26-14)18(21)20-10-4-5-13(11-20)19(22)23/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyKFJGPFLGTPWDMB-CYBMUJFWSA-N
XLogP2.80
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 1084341
[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55762699
(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555
1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 43355781
(3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 129415278
1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 45429307
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914855
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone
CID 1084331
(3S)-1-(7-methoxy-1-benzofuran-2-carbonyl)piperidine-3-carboxylic acid
CID 99639026
(3S)-1-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 124703095
2-[[5-(azepane-1-carbonyl)furan-2-yl]methoxy]benzonitrile
CID 47051145
tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate
CID 55870043

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid (CID 125415613) is (3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid is COc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)o1.
What is the InChIKey of (3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is KFJGPFLGTPWDMB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21NO6/c1-24-15-6-2-3-7-16(15)25-12-14-8-9-17(26-14)18(21)20-10-4-5-13(11-20)19(22)23/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,22,23)/t13-/m1/s1.
What are the key properties of (3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid?
(3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 359.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 125415613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).