2-(3-formylpiperidin-1-yl)-N-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide

C23H42N4O4 — CID 137354171

IUPAC2-(3-formylpiperidin-1-yl)-N-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCCC(C=O)C1.CCCNC(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C12H22N2O2.C11H20N2O2/c1-3-6-13-12(16)10(2)14-7-4-5-11(8-14)9-15;1-2-5-12-11(15)8-13-6-3-4-10(7-13)9-14/h9-11H,3-8H2,1-2H3,(H,13,16);9-10H,2-8H2,1H3,(H,12,15)
InChIKeyKCOVPCAGXAJOQJ-UHFFFAOYSA-N
MW438.61 g/mol
LogP1.24
Rot. Bonds10

About 2-(3-formylpiperidin-1-yl)-N-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide

2-(3-formylpiperidin-1-yl)-N-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide (PubChem CID 137354171) has the molecular formula C23H42N4O4 and a molecular weight of 438.61 g/mol. Its IUPAC name is 2-(3-formylpiperidin-1-yl)-N-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-formylpiperidin-1-yl)-N-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide
PubChem CID137354171
Molecular FormulaC23H42N4O4
Molecular Weight438.61 g/mol
Exact Mass438.32
IUPAC Name2-(3-formylpiperidin-1-yl)-N-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCCC(C=O)C1.CCCNC(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C12H22N2O2.C11H20N2O2/c1-3-6-13-12(16)10(2)14-7-4-5-11(8-14)9-15;1-2-5-12-11(15)8-13-6-3-4-10(7-13)9-14/h9-11H,3-8H2,1-2H3,(H,13,16);9-10H,2-8H2,1H3,(H,12,15)
InChIKeyKCOVPCAGXAJOQJ-UHFFFAOYSA-N
XLogP1.24
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 51.24
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-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide?
The IUPAC name of 2-(3-formylpiperidin-1-yl)-N-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide (CID 137354171) is 2-(3-formylpiperidin-1-yl)-N-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(3-formylpiperidin-1-yl)-N-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(3-formylpiperidin-1-yl)-N-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide is CCCNC(=O)C(C)N1CCCC(C=O)C1.CCCNC(=O)CN1CCCC(C=O)C1.
What is the InChIKey of 2-(3-formylpiperidin-1-yl)-N-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide?
The InChIKey is KCOVPCAGXAJOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.C11H20N2O2/c1-3-6-13-12(16)10(2)14-7-4-5-11(8-14)9-15;1-2-5-12-11(15)8-13-6-3-4-10(7-13)9-14/h9-11H,3-8H2,1-2H3,(H,13,16);9-10H,2-8H2,1H3,(H,12,15).
What are the key properties of 2-(3-formylpiperidin-1-yl)-N-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide?
2-(3-formylpiperidin-1-yl)-N-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide has a molecular weight of 438.61 g/mol, XLogP of 1.24, 10 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-propylacetamide;2-(3-formylpiperidin-1-yl)-N-propylpropanamide is sourced from PubChem (CID 137354171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).