2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide

C14H19N3O4 — CID 78866913

IUPAC2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CN2CCCCC2=O)c(C)o1
InChIInChI=1S/C14H19N3O4/c1-9-7-11(10(2)21-9)14(20)16-15-12(18)8-17-6-4-3-5-13(17)19/h7H,3-6,8H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyKEDUFVOSQFIMDJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.67
Rot. Bonds3

About 2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide (PubChem CID 78866913) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide
PubChem CID78866913
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CN2CCCCC2=O)c(C)o1
InChIInChI=1S/C14H19N3O4/c1-9-7-11(10(2)21-9)14(20)16-15-12(18)8-17-6-4-3-5-13(17)19/h7H,3-6,8H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyKEDUFVOSQFIMDJ-UHFFFAOYSA-N
XLogP0.67
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide
CID 55407334
2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide
CID 39708207
2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide
CID 9224240
5-chloro-2-fluoro-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9093083
N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9185791
4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 8623673
2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 86981622
4-methylsulfonyl-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9218921
2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide
CID 9084933
2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 78886059
4-(3,4-dimethylphenyl)-4-oxo-N'-[2-(2-oxoazepan-1-yl)acetyl]butanehydrazide
CID 9186151
2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide
CID 55738531

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide (CID 78866913) is 2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)CN2CCCCC2=O)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide?
The InChIKey is KEDUFVOSQFIMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-7-11(10(2)21-9)14(20)16-15-12(18)8-17-6-4-3-5-13(17)19/h7H,3-6,8H2,1-2H3,(H,15,18)(H,16,20).
What are the key properties of 2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide has a molecular weight of 293.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide is sourced from PubChem (CID 78866913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).