2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide

C27H50N4O4 — CID 137354351

IUPAC2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N1CCCC(C=O)C1.CCCC(C)NC(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C14H26N2O2.C13H24N2O2/c1-4-6-11(2)15-14(18)12(3)16-8-5-7-13(9-16)10-17;1-3-5-11(2)14-13(17)9-15-7-4-6-12(8-15)10-16/h10-13H,4-9H2,1-3H3,(H,15,18);10-12H,3-9H2,1-2H3,(H,14,17)
InChIKeyQHXDSKOJEFGLTQ-UHFFFAOYSA-N
MW494.72 g/mol
LogP2.79
Rot. Bonds12

About 2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide

2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide (PubChem CID 137354351) has the molecular formula C27H50N4O4 and a molecular weight of 494.72 g/mol. Its IUPAC name is 2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide
PubChem CID137354351
Molecular FormulaC27H50N4O4
Molecular Weight494.72 g/mol
Exact Mass494.38
IUPAC Name2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N1CCCC(C=O)C1.CCCC(C)NC(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C14H26N2O2.C13H24N2O2/c1-4-6-11(2)15-14(18)12(3)16-8-5-7-13(9-16)10-17;1-3-5-11(2)14-13(17)9-15-7-4-6-12(8-15)10-16/h10-13H,4-9H2,1-3H3,(H,15,18);10-12H,3-9H2,1-2H3,(H,14,17)
InChIKeyQHXDSKOJEFGLTQ-UHFFFAOYSA-N
XLogP2.79
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.72
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide (CID 137354351) is 2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N1CCCC(C=O)C1.CCCC(C)NC(=O)CN1CCCC(C=O)C1.
What is the InChIKey of 2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide?
The InChIKey is QHXDSKOJEFGLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.C13H24N2O2/c1-4-6-11(2)15-14(18)12(3)16-8-5-7-13(9-16)10-17;1-3-5-11(2)14-13(17)9-15-7-4-6-12(8-15)10-16/h10-13H,4-9H2,1-3H3,(H,15,18);10-12H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide?
2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide has a molecular weight of 494.72 g/mol, XLogP of 2.79, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylpiperidin-1-yl)-N-pentan-2-ylacetamide;2-(3-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 137354351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).