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

C12H19N3O3 — CID 114683794

IUPAC3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCC1CN(Cc2ccoc2C(=O)NN)CCC1O
InChIInChI=1S/C12H19N3O3/c1-8-6-15(4-2-10(8)16)7-9-3-5-18-11(9)12(17)14-13/h3,5,8,10,16H,2,4,6-7,13H2,1H3,(H,14,17)
InChIKeyPTOYPFUSYXCHNR-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.09
Rot. Bonds3

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

3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 114683794) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID114683794
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCC1CN(Cc2ccoc2C(=O)NN)CCC1O
InChIInChI=1S/C12H19N3O3/c1-8-6-15(4-2-10(8)16)7-9-3-5-18-11(9)12(17)14-13/h3,5,8,10,16H,2,4,6-7,13H2,1H3,(H,14,17)
InChIKeyPTOYPFUSYXCHNR-UHFFFAOYSA-N
XLogP0.09
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.09
H-Bond Donors ≤ 53
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

3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
CID 79184345
3-[(4-hydroxypiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63570591
3-(piperidin-1-ylmethyl)furan-2-carbohydrazide
CID 63568851
3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572820
3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 102959446
3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63578962
2-[1-[[2-(hydrazinecarbonyl)furan-3-yl]methyl]piperidin-4-yl]acetamide
CID 63578815
1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol
CID 114677986
3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572129
ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate
CID 81339448
3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide
CID 63578733
2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 105346215

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide (CID 114683794) is 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide is CC1CN(Cc2ccoc2C(=O)NN)CCC1O.
What is the InChIKey of 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is PTOYPFUSYXCHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-6-15(4-2-10(8)16)7-9-3-5-18-11(9)12(17)14-13/h3,5,8,10,16H,2,4,6-7,13H2,1H3,(H,14,17).
What are the key properties of 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 253.30 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 114683794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).