1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid

C14H21NO3 — CID 65069150

IUPAC1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid
SMILESCCC(c1ccco1)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H21NO3/c1-3-11(12-6-4-9-18-12)15-8-5-7-14(2,10-15)13(16)17/h4,6,9,11H,3,5,7-8,10H2,1-2H3,(H,16,17)
InChIKeySRURZOJJLQICKO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.92
Rot. Bonds4

About 1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid

1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 65069150) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID65069150
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid
SMILESCCC(c1ccco1)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H21NO3/c1-3-11(12-6-4-9-18-12)15-8-5-7-14(2,10-15)13(16)17/h4,6,9,11H,3,5,7-8,10H2,1-2H3,(H,16,17)
InChIKeySRURZOJJLQICKO-UHFFFAOYSA-N
XLogP2.92
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)propyl]-4-methylpiperidine-4-carboxylic acid
CID 65064562
1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65061066
3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid
CID 65068908
1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071570
3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid
CID 65068571
1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 65068786
1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63134020
3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 65068572
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068532
3-(furan-2-yl)-3-(4-methylpiperazin-1-yl)propanoic acid
CID 82129783
1-[1-(1-benzofuran-2-yl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068817
1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383098

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid (CID 65069150) is 1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid is CCC(c1ccco1)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is SRURZOJJLQICKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-11(12-6-4-9-18-12)15-8-5-7-14(2,10-15)13(16)17/h4,6,9,11H,3,5,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid?
1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65069150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).