5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide

C13H21N3O3 — CID 102968693

IUPAC5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCOC1CN(Cc2ccc(C(=O)NN)o2)CCC1C
InChIInChI=1S/C13H21N3O3/c1-9-5-6-16(8-12(9)18-2)7-10-3-4-11(19-10)13(17)15-14/h3-4,9,12H,5-8,14H2,1-2H3,(H,15,17)
InChIKeyDCXHXOLILBJCFS-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.74
Rot. Bonds4

About 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide

5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 102968693) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID102968693
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCOC1CN(Cc2ccc(C(=O)NN)o2)CCC1C
InChIInChI=1S/C13H21N3O3/c1-9-5-6-16(8-12(9)18-2)7-10-3-4-11(19-10)13(17)15-14/h3-4,9,12H,5-8,14H2,1-2H3,(H,15,17)
InChIKeyDCXHXOLILBJCFS-UHFFFAOYSA-N
XLogP0.74
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 102965460
methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate
CID 79868617
5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 55213258
5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 63577895
4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 102968696
5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 55214583
methyl 2-[2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]acetate
CID 102676457
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 103577076
N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 102967918
1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960519
ethyl (3S)-1-[(5-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 81338404
5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61434674

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide (CID 102968693) is 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide is COC1CN(Cc2ccc(C(=O)NN)o2)CCC1C.
What is the InChIKey of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is DCXHXOLILBJCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-5-6-16(8-12(9)18-2)7-10-3-4-11(19-10)13(17)15-14/h3-4,9,12H,5-8,14H2,1-2H3,(H,15,17).
What are the key properties of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 267.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 102968693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).