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

C20H23N3O4 — CID 90521938

IUPACN-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C20H23N3O4/c1-14-3-2-4-17(11-14)22-19(25)18(24)21-12-15-5-8-23(9-6-15)20(26)16-7-10-27-13-16/h2-4,7,10-11,13,15H,5-6,8-9,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyGDVONHMBYUCOJP-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.20
Rot. Bonds4

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

N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide (PubChem CID 90521938) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide
PubChem CID90521938
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C20H23N3O4/c1-14-3-2-4-17(11-14)22-19(25)18(24)21-12-15-5-8-23(9-6-15)20(26)16-7-10-27-13-16/h2-4,7,10-11,13,15H,5-6,8-9,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyGDVONHMBYUCOJP-UHFFFAOYSA-N
XLogP2.20
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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]-N'-(2-methyl-4-nitrophenyl)oxamide
CID 90521979
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
CID 90521933
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-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107606
N'-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520979
(3-methylphenyl) 1-(furan-3-carbonyl)piperidine-4-carboxylate
CID 35503747
N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886569
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 71786690

Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide (CID 90521938) is N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccoc3)CC2)c1.
What is the InChIKey of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide?
The InChIKey is GDVONHMBYUCOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-14-3-2-4-17(11-14)22-19(25)18(24)21-12-15-5-8-23(9-6-15)20(26)16-7-10-27-13-16/h2-4,7,10-11,13,15H,5-6,8-9,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide?
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide has a molecular weight of 369.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 90521938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).