4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide

C14H23N3O2 — CID 63572887

IUPAC4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
SMILESCCC1CCCCN1Cc1cc(C(=O)NN)oc1C
InChIInChI=1S/C14H23N3O2/c1-3-12-6-4-5-7-17(12)9-11-8-13(14(18)16-15)19-10(11)2/h8,12H,3-7,9,15H2,1-2H3,(H,16,18)
InChIKeyLXRDCLPVOJWUDK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.96
Rot. Bonds4

About 4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide

4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide (PubChem CID 63572887) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
PubChem CID63572887
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
SMILESCCC1CCCCN1Cc1cc(C(=O)NN)oc1C
InChIInChI=1S/C14H23N3O2/c1-3-12-6-4-5-7-17(12)9-11-8-13(14(18)16-15)19-10(11)2/h8,12H,3-7,9,15H2,1-2H3,(H,16,18)
InChIKeyLXRDCLPVOJWUDK-UHFFFAOYSA-N
XLogP1.96
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.96
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

1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]-N-methylpiperidine-2-carboxamide
CID 63585489
1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide
CID 63569410
4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63570994
3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572129
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62422888
4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 55076314
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62420081
5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 104680451
[5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62417803
N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 104692301
5-methyl-4-[(2-methylpiperidin-1-yl)methyl]furan-2-carbonyl chloride
CID 82042224
2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide
CID 63579534

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide (CID 63572887) is 4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide is CCC1CCCCN1Cc1cc(C(=O)NN)oc1C.
What is the InChIKey of 4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is LXRDCLPVOJWUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-12-6-4-5-7-17(12)9-11-8-13(14(18)16-15)19-10(11)2/h8,12H,3-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide?
4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 265.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63572887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).