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

C16H24N2O5 — CID 122009637

IUPAC1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCOCCC(Cc1ccco1)NC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C16H24N2O5/c1-22-9-6-13(10-14-5-3-8-23-14)17-16(21)18-7-2-4-12(11-18)15(19)20/h3,5,8,12-13H,2,4,6-7,9-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyFOERNXZVQWTLAM-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.73
Rot. Bonds7

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

1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122009637) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122009637
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCOCCC(Cc1ccco1)NC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C16H24N2O5/c1-22-9-6-13(10-14-5-3-8-23-14)17-16(21)18-7-2-4-12(11-18)15(19)20/h3,5,8,12-13H,2,4,6-7,9-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyFOERNXZVQWTLAM-UHFFFAOYSA-N
XLogP1.73
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123432
(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
CID 81128264
1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 122017027
1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004823
1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122003589
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
CID 43171014
(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125361
(3R)-3-acetamido-N-[(2S)-1-(furan-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 97087871
3-acetamido-N-[1-(furan-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 71893038
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122009637) is 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid is COCCC(Cc1ccco1)NC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is FOERNXZVQWTLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-22-9-6-13(10-14-5-3-8-23-14)17-16(21)18-7-2-4-12(11-18)15(19)20/h3,5,8,12-13H,2,4,6-7,9-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122009637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).