1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid

C21H22N2O3 — CID 56865178

IUPAC1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(CCc2ccccc2)CCN(c2nccc3occc23)CC1
InChIInChI=1S/C21H22N2O3/c24-20(25)21(9-6-16-4-2-1-3-5-16)10-13-23(14-11-21)19-17-8-15-26-18(17)7-12-22-19/h1-5,7-8,12,15H,6,9-11,13-14H2,(H,24,25)
InChIKeyLVFXDBGNFACBIL-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.13
Rot. Bonds5

About 1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid

1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid (PubChem CID 56865178) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid
PubChem CID56865178
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(CCc2ccccc2)CCN(c2nccc3occc23)CC1
InChIInChI=1S/C21H22N2O3/c24-20(25)21(9-6-16-4-2-1-3-5-16)10-13-23(14-11-21)19-17-8-15-26-18(17)7-12-22-19/h1-5,7-8,12,15H,6,9-11,13-14H2,(H,24,25)
InChIKeyLVFXDBGNFACBIL-UHFFFAOYSA-N
XLogP4.13
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid (CID 56865178) is 1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid is O=C(O)C1(CCc2ccccc2)CCN(c2nccc3occc23)CC1.
What is the InChIKey of 1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid?
The InChIKey is LVFXDBGNFACBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20(25)21(9-6-16-4-2-1-3-5-16)10-13-23(14-11-21)19-17-8-15-26-18(17)7-12-22-19/h1-5,7-8,12,15H,6,9-11,13-14H2,(H,24,25).
What are the key properties of 1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid?
1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56865178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).