2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid

C21H25NO5 — CID 120821642

IUPAC2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCC(Cc3ccccc3OC)CC2)cc1C(=O)O
InChIInChI=1S/C21H25NO5/c1-3-17-16(21(24)25)13-19(27-17)20(23)22-10-8-14(9-11-22)12-15-6-4-5-7-18(15)26-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,24,25)
InChIKeyBKRGYXBAPUBTKE-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.64
Rot. Bonds6

About 2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid

2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid (PubChem CID 120821642) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid
PubChem CID120821642
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCC(Cc3ccccc3OC)CC2)cc1C(=O)O
InChIInChI=1S/C21H25NO5/c1-3-17-16(21(24)25)13-19(27-17)20(23)22-10-8-14(9-11-22)12-15-6-4-5-7-18(15)26-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,24,25)
InChIKeyBKRGYXBAPUBTKE-UHFFFAOYSA-N
XLogP3.64
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120820566
2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 120821717
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
2-ethyl-5-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]furan-3-carboxylic acid
CID 120821164
3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
CID 119921488
(1-aminocyclopropyl)-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 119769086
(4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 1126109
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591375
(2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 95278344
(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 121091409
(2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086533
(4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone
CID 113206938

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid (CID 120821642) is 2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid is CCc1oc(C(=O)N2CCC(Cc3ccccc3OC)CC2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid?
The InChIKey is BKRGYXBAPUBTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-3-17-16(21(24)25)13-19(27-17)20(23)22-10-8-14(9-11-22)12-15-6-4-5-7-18(15)26-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,24,25).
What are the key properties of 2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid?
2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid has a molecular weight of 371.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).