2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide

C13H22N4O2 — CID 63572172

IUPAC2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide
SMILESCN(C)C1CCN(Cc2occc2C(=O)NN)CC1
InChIInChI=1S/C13H22N4O2/c1-16(2)10-3-6-17(7-4-10)9-12-11(5-8-19-12)13(18)15-14/h5,8,10H,3-4,6-7,9,14H2,1-2H3,(H,15,18)
InChIKeyJVALGBVVUBYYGF-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.41
Rot. Bonds4

About 2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide

2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide (PubChem CID 63572172) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide
PubChem CID63572172
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide
SMILESCN(C)C1CCN(Cc2occc2C(=O)NN)CC1
InChIInChI=1S/C13H22N4O2/c1-16(2)10-3-6-17(7-4-10)9-12-11(5-8-19-12)13(18)15-14/h5,8,10H,3-4,6-7,9,14H2,1-2H3,(H,15,18)
InChIKeyJVALGBVVUBYYGF-UHFFFAOYSA-N
XLogP0.41
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.41
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

2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63584457
2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63572841
2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 63569726
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 112629365
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide
CID 66371047
2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63583479
2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide
CID 63577489
2-[(5-oxo-1,4-diazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63583335
2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide
CID 79469519
2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]furan-3-carboxylic acid
CID 43477735
2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide
CID 63583097
2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351724

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide (CID 63572172) is 2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide is CN(C)C1CCN(Cc2occc2C(=O)NN)CC1.
What is the InChIKey of 2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide?
The InChIKey is JVALGBVVUBYYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16(2)10-3-6-17(7-4-10)9-12-11(5-8-19-12)13(18)15-14/h5,8,10H,3-4,6-7,9,14H2,1-2H3,(H,15,18).
What are the key properties of 2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide?
2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide has a molecular weight of 266.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63572172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).