1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

C17H20N2O4 — CID 122003126

IUPAC1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCc2cc3ccccc3o2)CC1
InChIInChI=1S/C17H20N2O4/c20-16(21)12-6-9-19(10-7-12)17(22)18-8-5-14-11-13-3-1-2-4-15(13)23-14/h1-4,11-12H,5-10H2,(H,18,22)(H,20,21)
InChIKeyHAIFODAODGTSIM-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.48
Rot. Bonds4

About 1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122003126) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122003126
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCc2cc3ccccc3o2)CC1
InChIInChI=1S/C17H20N2O4/c20-16(21)12-6-9-19(10-7-12)17(22)18-8-5-14-11-13-3-1-2-4-15(13)23-14/h1-4,11-12H,5-10H2,(H,18,22)(H,20,21)
InChIKeyHAIFODAODGTSIM-UHFFFAOYSA-N
XLogP2.48
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 154758945
(3S,4S)-1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122003135
N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
CID 126785553
1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122001108
1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122008421
2-[2-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]ethyl]-1-benzofuran-6-carboxylic acid
CID 167772979
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
4-[(1-benzofuran-2-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79530100
N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 127902707
1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122013321
ethyl 4-[[N-[2-(1-benzofuran-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111775146
N-[2-(1-benzofuran-2-yl)ethyl]piperidine-2-carboxamide
CID 119332486

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 122003126) is 1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCCc2cc3ccccc3o2)CC1.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is HAIFODAODGTSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-16(21)12-6-9-19(10-7-12)17(22)18-8-5-14-11-13-3-1-2-4-15(13)23-14/h1-4,11-12H,5-10H2,(H,18,22)(H,20,21).
What are the key properties of 1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122003126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).