1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid

C16H18N2O3 — CID 3632610

IUPAC1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(c2cccnc2)c2ccco2)C1
InChIInChI=1S/C16H18N2O3/c19-16(20)13-5-2-8-18(11-13)15(14-6-3-9-21-14)12-4-1-7-17-10-12/h1,3-4,6-7,9-10,13,15H,2,5,8,11H2,(H,19,20)
InChIKeySBNITAWKMNPPPO-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.56
Rot. Bonds4

About 1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid

1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 3632610) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
PubChem CID3632610
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(c2cccnc2)c2ccco2)C1
InChIInChI=1S/C16H18N2O3/c19-16(20)13-5-2-8-18(11-13)15(14-6-3-9-21-14)12-4-1-7-17-10-12/h1,3-4,6-7,9-10,13,15H,2,5,8,11H2,(H,19,20)
InChIKeySBNITAWKMNPPPO-UHFFFAOYSA-N
XLogP2.56
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 3920977
1-[(4-propan-2-ylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 5009193
1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5201610
1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 4013318
1-[naphthalen-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 4562345
1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5157264
1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid
CID 5225573
1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798
1-[(5-fluoro-2-methoxyphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 3942168
(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid
CID 129430805
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid
CID 4290710

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid (CID 3632610) is 1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(c2cccnc2)c2ccco2)C1.
What is the InChIKey of 1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is SBNITAWKMNPPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-16(20)13-5-2-8-18(11-13)15(14-6-3-9-21-14)12-4-1-7-17-10-12/h1,3-4,6-7,9-10,13,15H,2,5,8,11H2,(H,19,20).
What are the key properties of 1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 3632610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).