4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid

C18H20N2O4 — CID 97203993

IUPAC4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid
SMILESO=C(O)c1ccc([C@H]2CCCN(C(=O)NCc3ccco3)C2)cc1
InChIInChI=1S/C18H20N2O4/c21-17(22)14-7-5-13(6-8-14)15-3-1-9-20(12-15)18(23)19-11-16-4-2-10-24-16/h2,4-8,10,15H,1,3,9,11-12H2,(H,19,23)(H,21,22)/t15-/m0/s1
InChIKeyLNATTYVJYHBZHA-HNNXBMFYSA-N
MW328.37 g/mol
LogP3.07
Rot. Bonds4

About 4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid

4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid (PubChem CID 97203993) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid
PubChem CID97203993
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid
SMILESO=C(O)c1ccc([C@H]2CCCN(C(=O)NCc3ccco3)C2)cc1
InChIInChI=1S/C18H20N2O4/c21-17(22)14-7-5-13(6-8-14)15-3-1-9-20(12-15)18(23)19-11-16-4-2-10-24-16/h2,4-8,10,15H,1,3,9,11-12H2,(H,19,23)(H,21,22)/t15-/m0/s1
InChIKeyLNATTYVJYHBZHA-HNNXBMFYSA-N
XLogP3.07
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(thiophen-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid
CID 72899575
3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 92872465
N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86911870
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598
1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 18103397
1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide
CID 46065319
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589
(3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97075763
4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid
CID 97209889

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid?
The IUPAC name of 4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid (CID 97203993) is 4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid.
What is the SMILES notation for 4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid?
The canonical SMILES for 4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid is O=C(O)c1ccc([C@H]2CCCN(C(=O)NCc3ccco3)C2)cc1.
What is the InChIKey of 4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid?
The InChIKey is LNATTYVJYHBZHA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17(22)14-7-5-13(6-8-14)15-3-1-9-20(12-15)18(23)19-11-16-4-2-10-24-16/h2,4-8,10,15H,1,3,9,11-12H2,(H,19,23)(H,21,22)/t15-/m0/s1.
What are the key properties of 4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid?
4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid has a molecular weight of 328.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid is sourced from PubChem (CID 97203993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).