1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide

C14H26N4O3 — CID 76921471

IUPAC1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide
SMILESCCC(CC)(C(=O)N1CCCCC1C(=O)NC)C(N)=NO
InChIInChI=1S/C14H26N4O3/c1-4-14(5-2,12(15)17-21)13(20)18-9-7-6-8-10(18)11(19)16-3/h10,21H,4-9H2,1-3H3,(H2,15,17)(H,16,19)
InChIKeyADCWRAQQUXZLNK-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.67
Rot. Bonds5

About 1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide

1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide (PubChem CID 76921471) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide
PubChem CID76921471
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide
SMILESCCC(CC)(C(=O)N1CCCCC1C(=O)NC)C(N)=NO
InChIInChI=1S/C14H26N4O3/c1-4-14(5-2,12(15)17-21)13(20)18-9-7-6-8-10(18)11(19)16-3/h10,21H,4-9H2,1-3H3,(H2,15,17)(H,16,19)
InChIKeyADCWRAQQUXZLNK-UHFFFAOYSA-N
XLogP0.67
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide (CID 76921471) is 1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide is CCC(CC)(C(=O)N1CCCCC1C(=O)NC)C(N)=NO.
What is the InChIKey of 1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is ADCWRAQQUXZLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-4-14(5-2,12(15)17-21)13(20)18-9-7-6-8-10(18)11(19)16-3/h10,21H,4-9H2,1-3H3,(H2,15,17)(H,16,19).
What are the key properties of 1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide?
1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-2-(N'-hydroxycarbamimidoyl)butanoyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 76921471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).