1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid

C19H22N2O5 — CID 122017027

IUPAC1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(NC(=O)N2CCCC(C(=O)O)C2)c2ccco2)cc1
InChIInChI=1S/C19H22N2O5/c1-25-15-8-6-13(7-9-15)17(16-5-3-11-26-16)20-19(24)21-10-2-4-14(12-21)18(22)23/h3,5-9,11,14,17H,2,4,10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyHBVXXEQYXOBXIS-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.88
Rot. Bonds5

About 1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid

1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122017027) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122017027
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(NC(=O)N2CCCC(C(=O)O)C2)c2ccco2)cc1
InChIInChI=1S/C19H22N2O5/c1-25-15-8-6-13(7-9-15)17(16-5-3-11-26-16)20-19(24)21-10-2-4-14(12-21)18(22)23/h3,5-9,11,14,17H,2,4,10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyHBVXXEQYXOBXIS-UHFFFAOYSA-N
XLogP2.88
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122014818
1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 66196818
1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122009637
(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
CID 81128264
1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4203108
1-[3-(4-methoxyphenyl)pentanoyl]piperidine-3-carboxylic acid
CID 120684317
N-[furan-2-yl(phenyl)methyl]-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxamide
CID 112834644
(3S)-1-[1-(4-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119655
N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide
CID 94513081
(3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120360
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
3-anilino-N-[(4-methoxyphenyl)-phenylmethyl]pyrrolidine-1-carboxamide
CID 86903980

Frequently Asked Questions

What is the IUPAC name of 1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid (CID 122017027) is 1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid is COc1ccc(C(NC(=O)N2CCCC(C(=O)O)C2)c2ccco2)cc1.
What is the InChIKey of 1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is HBVXXEQYXOBXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-25-15-8-6-13(7-9-15)17(16-5-3-11-26-16)20-19(24)21-10-2-4-14(12-21)18(22)23/h3,5-9,11,14,17H,2,4,10,12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 358.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122017027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).