3-(piperidin-1-ylmethyl)furan-2-carbohydrazide

C11H17N3O2 — CID 63568851

IUPAC3-(piperidin-1-ylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1occc1CN1CCCCC1
InChIInChI=1S/C11H17N3O2/c12-13-11(15)10-9(4-7-16-10)8-14-5-2-1-3-6-14/h4,7H,1-3,5-6,8,12H2,(H,13,15)
InChIKeyAJSSNVBTLFMACL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.87
Rot. Bonds3

About 3-(piperidin-1-ylmethyl)furan-2-carbohydrazide

3-(piperidin-1-ylmethyl)furan-2-carbohydrazide (PubChem CID 63568851) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)furan-2-carbohydrazide
PubChem CID63568851
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(piperidin-1-ylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1occc1CN1CCCCC1
InChIInChI=1S/C11H17N3O2/c12-13-11(15)10-9(4-7-16-10)8-14-5-2-1-3-6-14/h4,7H,1-3,5-6,8,12H2,(H,13,15)
InChIKeyAJSSNVBTLFMACL-UHFFFAOYSA-N
XLogP0.87
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-hydroxypiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63570591
2-[1-[[2-(hydrazinecarbonyl)furan-3-yl]methyl]piperidin-4-yl]acetamide
CID 63578815
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
CID 79184345
3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572820
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 114683794
3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63578962
3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572129
3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153189
3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carbohydrazide
CID 63570279
ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate
CID 81339448
3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153219
3-[(4-oxopiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61345549

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)furan-2-carbohydrazide?
The IUPAC name of 3-(piperidin-1-ylmethyl)furan-2-carbohydrazide (CID 63568851) is 3-(piperidin-1-ylmethyl)furan-2-carbohydrazide.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)furan-2-carbohydrazide?
The canonical SMILES for 3-(piperidin-1-ylmethyl)furan-2-carbohydrazide is NNC(=O)c1occc1CN1CCCCC1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)furan-2-carbohydrazide?
The InChIKey is AJSSNVBTLFMACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-13-11(15)10-9(4-7-16-10)8-14-5-2-1-3-6-14/h4,7H,1-3,5-6,8,12H2,(H,13,15).
What are the key properties of 3-(piperidin-1-ylmethyl)furan-2-carbohydrazide?
3-(piperidin-1-ylmethyl)furan-2-carbohydrazide has a molecular weight of 223.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)furan-2-carbohydrazide is sourced from PubChem (CID 63568851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).