1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

C17H26N2O5 — CID 122123432

IUPAC1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOCCC(Cc1ccco1)NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C17H26N2O5/c1-12-8-13(16(20)21)11-19(10-12)17(22)18-14(5-7-23-2)9-15-4-3-6-24-15/h3-4,6,12-14H,5,7-11H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyZSIYHLWZMCDBPG-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.98
Rot. Bonds7

About 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122123432) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122123432
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOCCC(Cc1ccco1)NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C17H26N2O5/c1-12-8-13(16(20)21)11-19(10-12)17(22)18-14(5-7-23-2)9-15-4-3-6-24-15/h3-4,6,12-14H,5,7-11H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyZSIYHLWZMCDBPG-UHFFFAOYSA-N
XLogP1.98
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122009637
5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122754
1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119401
(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
CID 81128264
5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122122970
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525
1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119800
1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004823
(6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 124890479
1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197
2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683044
1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122852

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122123432) is 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is COCCC(Cc1ccco1)NC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is ZSIYHLWZMCDBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-12-8-13(16(20)21)11-19(10-12)17(22)18-14(5-7-23-2)9-15-4-3-6-24-15/h3-4,6,12-14H,5,7-11H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 338.40 g/mol, XLogP of 1.98, 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]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122123432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).