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

C13H21N3O2 — CID 63572129

IUPAC3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCCC1CCCCN1Cc1ccoc1C(=O)NN
InChIInChI=1S/C13H21N3O2/c1-2-11-5-3-4-7-16(11)9-10-6-8-18-12(10)13(17)15-14/h6,8,11H,2-5,7,9,14H2,1H3,(H,15,17)
InChIKeyRXNCECSDUVHAAW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.65
Rot. Bonds4

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

3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 63572129) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID63572129
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCCC1CCCCN1Cc1ccoc1C(=O)NN
InChIInChI=1S/C13H21N3O2/c1-2-11-5-3-4-7-16(11)9-10-6-8-18-12(10)13(17)15-14/h6,8,11H,2-5,7,9,14H2,1H3,(H,15,17)
InChIKeyRXNCECSDUVHAAW-UHFFFAOYSA-N
XLogP1.65
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.65
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-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide
CID 63578733
methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61361829
4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63572887
3-(piperidin-1-ylmethyl)furan-2-carbohydrazide
CID 63568851
N-[[2-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62419893
3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572820
N-[[3-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55075068
3-[(4-hydroxypiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63570591
3-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 138045770
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 114683794
3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide
CID 82167845
methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 56502395

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide (CID 63572129) is 3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide is CCC1CCCCN1Cc1ccoc1C(=O)NN.
What is the InChIKey of 3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is RXNCECSDUVHAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-11-5-3-4-7-16(11)9-10-6-8-18-12(10)13(17)15-14/h6,8,11H,2-5,7,9,14H2,1H3,(H,15,17).
What are the key properties of 3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 251.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63572129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).