1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid

C16H24N2O5 — CID 122003589

IUPAC1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCCc1ccc(C(COC)NC(=O)N2CCCC(C(=O)O)C2)o1
InChIInChI=1S/C16H24N2O5/c1-3-12-6-7-14(23-12)13(10-22-2)17-16(21)18-8-4-5-11(9-18)15(19)20/h6-7,11,13H,3-5,8-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyTYUKHHKEKOSIJS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.04
Rot. Bonds6

About 1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid

1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122003589) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122003589
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCCc1ccc(C(COC)NC(=O)N2CCCC(C(=O)O)C2)o1
InChIInChI=1S/C16H24N2O5/c1-3-12-6-7-14(23-12)13(10-22-2)17-16(21)18-8-4-5-11(9-18)15(19)20/h6-7,11,13H,3-5,8-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyTYUKHHKEKOSIJS-UHFFFAOYSA-N
XLogP2.04
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 95967272
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122009637
(2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide
CID 120637446
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
(3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124608574
1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122014818
1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122003412
(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125361
(3R)-1-(but-3-yn-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104921713
(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
CID 81128264
1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122002874

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid (CID 122003589) is 1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid is CCc1ccc(C(COC)NC(=O)N2CCCC(C(=O)O)C2)o1.
What is the InChIKey of 1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is TYUKHHKEKOSIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-3-12-6-7-14(23-12)13(10-22-2)17-16(21)18-8-4-5-11(9-18)15(19)20/h6-7,11,13H,3-5,8-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122003589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).