2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide

C11H18N4O2 — CID 63583479

IUPAC2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CN1CCCC(N)C1
InChIInChI=1S/C11H18N4O2/c12-8-2-1-4-15(6-8)7-10-9(3-5-17-10)11(16)14-13/h3,5,8H,1-2,4,6-7,12-13H2,(H,14,16)
InChIKeyBFIBNEVMLBINHM-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.19
Rot. Bonds3

About 2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide

2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63583479) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63583479
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CN1CCCC(N)C1
InChIInChI=1S/C11H18N4O2/c12-8-2-1-4-15(6-8)7-10-9(3-5-17-10)11(16)14-13/h3,5,8H,1-2,4,6-7,12-13H2,(H,14,16)
InChIKeyBFIBNEVMLBINHM-UHFFFAOYSA-N
XLogP-0.19
TPSA97.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.19
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

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide
CID 66371047
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63584457
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 112629365
2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide
CID 63572172
2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide
CID 63577489
2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 63569726
2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63572841
2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477695
2-[(5-oxo-1,4-diazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63583335
ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate
CID 51072760
methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 79038546
2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide
CID 63583097

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide (CID 63583479) is 2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide is NNC(=O)c1ccoc1CN1CCCC(N)C1.
What is the InChIKey of 2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is BFIBNEVMLBINHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-8-2-1-4-15(6-8)7-10-9(3-5-17-10)11(16)14-13/h3,5,8H,1-2,4,6-7,12-13H2,(H,14,16).
What are the key properties of 2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide?
2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 238.29 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63583479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).