1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C16H18N2O4 — CID 35550742

IUPAC1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C16H18N2O4/c19-15(17-10-14-2-1-8-22-14)12-3-6-18(7-4-12)16(20)13-5-9-21-11-13/h1-2,5,8-9,11-12H,3-4,6-7,10H2,(H,17,19)
InChIKeyKEJBXGKSNZYAHL-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.04
Rot. Bonds4

About 1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 35550742) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID35550742
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C16H18N2O4/c19-15(17-10-14-2-1-8-22-14)12-3-6-18(7-4-12)16(20)13-5-9-21-11-13/h1-2,5,8-9,11-12H,3-4,6-7,10H2,(H,17,19)
InChIKeyKEJBXGKSNZYAHL-UHFFFAOYSA-N
XLogP2.04
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
CID 90521933
N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
1-(furan-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35555974
N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 32822773
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 35699759
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565
N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide
CID 154860142
1-(furan-3-carbonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35676446
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 35550742) is 1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KEJBXGKSNZYAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-15(17-10-14-2-1-8-22-14)12-3-6-18(7-4-12)16(20)13-5-9-21-11-13/h1-2,5,8-9,11-12H,3-4,6-7,10H2,(H,17,19).
What are the key properties of 1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 35550742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).