N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide

C18H21N3O5 — CID 90521933

IUPACN-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)NCC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C18H21N3O5/c22-16(17(23)20-11-15-2-1-8-26-15)19-10-13-3-6-21(7-4-13)18(24)14-5-9-25-12-14/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2,(H,19,22)(H,20,23)
InChIKeyPJJKBKGPZJHNKS-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.16
Rot. Bonds5

About N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide

N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide (PubChem CID 90521933) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
PubChem CID90521933
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)NCC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C18H21N3O5/c22-16(17(23)20-11-15-2-1-8-26-15)19-10-13-3-6-21(7-4-13)18(24)14-5-9-25-12-14/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2,(H,19,22)(H,20,23)
InChIKeyPJJKBKGPZJHNKS-UHFFFAOYSA-N
XLogP1.16
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 90521938
1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea
CID 90522000
4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521806
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90521977
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 71786690
furan-3-yl-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]methanone
CID 97229211
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 35699759
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 90521763
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(2-methyl-4-nitrophenyl)oxamide
CID 90521979
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16887280

Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide?
The IUPAC name of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide (CID 90521933) is N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide is O=C(NCc1ccco1)C(=O)NCC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide?
The InChIKey is PJJKBKGPZJHNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c22-16(17(23)20-11-15-2-1-8-26-15)19-10-13-3-6-21(7-4-13)18(24)14-5-9-25-12-14/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2,(H,19,22)(H,20,23).
What are the key properties of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide?
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide has a molecular weight of 359.38 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 90521933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).