N-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide

C15H23N3O4 — CID 76780166

IUPACN-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide
SMILESCc1oc(C(C)NC(=O)C2CCN(C)CC2)cc1C(=O)NO
InChIInChI=1S/C15H23N3O4/c1-9(13-8-12(10(2)22-13)15(20)17-21)16-14(19)11-4-6-18(3)7-5-11/h8-9,11,21H,4-7H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyAQAWDJAVVGVOFS-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.23
Rot. Bonds4

About N-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide

N-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide (PubChem CID 76780166) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide
PubChem CID76780166
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC NameN-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide
SMILESCc1oc(C(C)NC(=O)C2CCN(C)CC2)cc1C(=O)NO
InChIInChI=1S/C15H23N3O4/c1-9(13-8-12(10(2)22-13)15(20)17-21)16-14(19)11-4-6-18(3)7-5-11/h8-9,11,21H,4-7H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyAQAWDJAVVGVOFS-UHFFFAOYSA-N
XLogP1.23
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide
CID 132649676
N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide
CID 76780174
N-[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 51592266
N-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide
CID 58418271
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide
CID 167064897
1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 132649936
2-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-propan-2-ylfuran-3-carboxamide
CID 146125060
tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 46612716
N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide
CID 42191927
2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide
CID 95229686
N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51321017

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide (CID 76780166) is N-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide is Cc1oc(C(C)NC(=O)C2CCN(C)CC2)cc1C(=O)NO.
What is the InChIKey of N-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is AQAWDJAVVGVOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-9(13-8-12(10(2)22-13)15(20)17-21)16-14(19)11-4-6-18(3)7-5-11/h8-9,11,21H,4-7H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide?
N-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(hydroxycarbamoyl)-5-methylfuran-2-yl]ethyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 76780166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).