N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide

C15H18N4O4 — CID 154860142

IUPACN-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide
SMILESO=C1CC(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)=NN1
InChIInChI=1S/C15H18N4O4/c20-13-8-12(17-18-13)15(22)19-5-3-10(4-6-19)14(21)16-9-11-2-1-7-23-11/h1-2,7,10H,3-6,8-9H2,(H,16,21)(H,18,20)
InChIKeyKBTYSYZALXNDJS-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.01
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide (PubChem CID 154860142) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide
PubChem CID154860142
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide
SMILESO=C1CC(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)=NN1
InChIInChI=1S/C15H18N4O4/c20-13-8-12(17-18-13)15(22)19-5-3-10(4-6-19)14(21)16-9-11-2-1-7-23-11/h1-2,7,10H,3-6,8-9H2,(H,16,21)(H,18,20)
InChIKeyKBTYSYZALXNDJS-UHFFFAOYSA-N
XLogP0.01
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565
N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 74232670
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 46381273
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 17118927
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53284623
1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 34650298
N-(furan-2-ylmethyl)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
CID 56551379

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide (CID 154860142) is N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide is O=C1CC(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)=NN1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is KBTYSYZALXNDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c20-13-8-12(17-18-13)15(22)19-5-3-10(4-6-19)14(21)16-9-11-2-1-7-23-11/h1-2,7,10H,3-6,8-9H2,(H,16,21)(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 154860142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).