1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid

C17H22N2O5 — CID 45341263

IUPAC1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCN(C(=O)c3ccco3)CC2)CC1
InChIInChI=1S/C17H22N2O5/c20-15(18-9-5-13(6-10-18)17(22)23)12-3-7-19(8-4-12)16(21)14-2-1-11-24-14/h1-2,11-13H,3-10H2,(H,22,23)
InChIKeyREEDSIWDMFGTEY-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.46
Rot. Bonds3

About 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid

1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid (PubChem CID 45341263) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
PubChem CID45341263
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCN(C(=O)c3ccco3)CC2)CC1
InChIInChI=1S/C17H22N2O5/c20-15(18-9-5-13(6-10-18)17(22)23)12-3-7-19(8-4-12)16(21)14-2-1-11-24-14/h1-2,11-13H,3-10H2,(H,22,23)
InChIKeyREEDSIWDMFGTEY-UHFFFAOYSA-N
XLogP1.46
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440443
(4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 35523855
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-tert-butyl-4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 17119108
4-(furan-2-carbonyl)-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 91667383
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
[4-(furan-2-carbonyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 3243073
cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129397980
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 53087557

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid (CID 45341263) is 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C2CCN(C(=O)c3ccco3)CC2)CC1.
What is the InChIKey of 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is REEDSIWDMFGTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c20-15(18-9-5-13(6-10-18)17(22)23)12-3-7-19(8-4-12)16(21)14-2-1-11-24-14/h1-2,11-13H,3-10H2,(H,22,23).
What are the key properties of 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid?
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 45341263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).