2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid

C18H18N2O5 — CID 113083174

IUPAC2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H18N2O5/c21-16(13-4-1-2-5-14(13)18(23)24)19-12-7-9-20(10-8-12)17(22)15-6-3-11-25-15/h1-6,11-12H,7-10H2,(H,19,21)(H,23,24)
InChIKeyCUMZLWZMINCTLH-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.01
Rot. Bonds4

About 2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid

2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid (PubChem CID 113083174) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
PubChem CID113083174
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H18N2O5/c21-16(13-4-1-2-5-14(13)18(23)24)19-12-7-9-20(10-8-12)17(22)15-6-3-11-25-15/h1-6,11-12H,7-10H2,(H,19,21)(H,23,24)
InChIKeyCUMZLWZMINCTLH-UHFFFAOYSA-N
XLogP2.01
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide
CID 46585539
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide
CID 134000252
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-phenylmethoxybenzamide
CID 16606665
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18149413
3-(cyclopropanecarbonylamino)-N-[1-(furan-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 134000446
2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119277094
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134000256
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dinitrobenzamide
CID 134000280
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 134000260

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid (CID 113083174) is 2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)NC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid?
The InChIKey is CUMZLWZMINCTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-16(13-4-1-2-5-14(13)18(23)24)19-12-7-9-20(10-8-12)17(22)15-6-3-11-25-15/h1-6,11-12H,7-10H2,(H,19,21)(H,23,24).
What are the key properties of 2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid?
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid has a molecular weight of 342.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 113083174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).