2-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide

C14H26N2O2 — CID 55100269

IUPAC2-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N1CCC(C=O)CC1
InChIInChI=1S/C14H26N2O2/c1-4-5-11(2)15-14(18)12(3)16-8-6-13(10-17)7-9-16/h10-13H,4-9H2,1-3H3,(H,15,18)
InChIKeyYZQYWVYQSIMUNK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.59
Rot. Bonds6

About 2-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide

2-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide (PubChem CID 55100269) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide
PubChem CID55100269
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N1CCC(C=O)CC1
InChIInChI=1S/C14H26N2O2/c1-4-5-11(2)15-14(18)12(3)16-8-6-13(10-17)7-9-16/h10-13H,4-9H2,1-3H3,(H,15,18)
InChIKeyYZQYWVYQSIMUNK-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide (CID 55100269) is 2-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N1CCC(C=O)CC1.
What is the InChIKey of 2-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide?
The InChIKey is YZQYWVYQSIMUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-5-11(2)15-14(18)12(3)16-8-6-13(10-17)7-9-16/h10-13H,4-9H2,1-3H3,(H,15,18).
What are the key properties of 2-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide?
2-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide has a molecular weight of 254.37 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperidin-1-yl)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 55100269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).