5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide

C15H25N3O2 — CID 63572468

IUPAC5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
SMILESCCC1(C)CCN(Cc2cc(C)c(C(=O)NN)o2)CC1
InChIInChI=1S/C15H25N3O2/c1-4-15(3)5-7-18(8-6-15)10-12-9-11(2)13(20-12)14(19)17-16/h9H,4-8,10,16H2,1-3H3,(H,17,19)
InChIKeySAPFVSKAXLSPQI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.20
Rot. Bonds4

About 5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide

5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide (PubChem CID 63572468) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
PubChem CID63572468
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
SMILESCCC1(C)CCN(Cc2cc(C)c(C(=O)NN)o2)CC1
InChIInChI=1S/C15H25N3O2/c1-4-15(3)5-7-18(8-6-15)10-12-9-11(2)13(20-12)14(19)17-16/h9H,4-8,10,16H2,1-3H3,(H,17,19)
InChIKeySAPFVSKAXLSPQI-UHFFFAOYSA-N
XLogP2.20
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.20
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

5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63574155
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide
CID 63571130
5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63571845
1-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 63585162
3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572859
5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 55213233
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide
CID 115562526
3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 114540671
5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 65281605
4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734097
3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide
CID 65366701
5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63572055

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide (CID 63572468) is 5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide is CCC1(C)CCN(Cc2cc(C)c(C(=O)NN)o2)CC1.
What is the InChIKey of 5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is SAPFVSKAXLSPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-15(3)5-7-18(8-6-15)10-12-9-11(2)13(20-12)14(19)17-16/h9H,4-8,10,16H2,1-3H3,(H,17,19).
What are the key properties of 5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 279.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63572468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).