2-(4-formylpiperidin-1-yl)-N-propan-2-ylacetamide

C11H20N2O2 — CID 62654629

IUPAC2-(4-formylpiperidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(C=O)CC1
InChIInChI=1S/C11H20N2O2/c1-9(2)12-11(15)7-13-5-3-10(8-14)4-6-13/h8-10H,3-7H2,1-2H3,(H,12,15)
InChIKeyIHJYSAWTMZLQOZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.42
Rot. Bonds4

About 2-(4-formylpiperidin-1-yl)-N-propan-2-ylacetamide

2-(4-formylpiperidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 62654629) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(4-formylpiperidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-formylpiperidin-1-yl)-N-propan-2-ylacetamide
PubChem CID62654629
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(4-formylpiperidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(C=O)CC1
InChIInChI=1S/C11H20N2O2/c1-9(2)12-11(15)7-13-5-3-10(8-14)4-6-13/h8-10H,3-7H2,1-2H3,(H,12,15)
InChIKeyIHJYSAWTMZLQOZ-UHFFFAOYSA-N
XLogP0.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 192731
Cyclo(alanyl-leucyl)
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(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
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3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
3-(2-Butanyl)-6-methyl-2,5-piperazinedione
CID 45359405
(3S,6S)-3-((2S)-butan-2-yl)-6-methylpiperazine-2,5-dione
CID 71359704
(2S)-2-amino-N-[(1S)-1-formyl-3-methyl-butyl]-4-methyl-pentanamide
CID 484685
Cyclo-L-Val-L-Val
CID 637596
(3S,6S)-3-[(2S)-butan-2-yl]-6-propan-2-ylpiperazine-2,5-dione
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3,6-Di-sec-butylpiperazine-2,5-dione
CID 3252652

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperidin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-formylpiperidin-1-yl)-N-propan-2-ylacetamide (CID 62654629) is 2-(4-formylpiperidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-formylpiperidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-formylpiperidin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC(C=O)CC1.
What is the InChIKey of 2-(4-formylpiperidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is IHJYSAWTMZLQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)12-11(15)7-13-5-3-10(8-14)4-6-13/h8-10H,3-7H2,1-2H3,(H,12,15).
What are the key properties of 2-(4-formylpiperidin-1-yl)-N-propan-2-ylacetamide?
2-(4-formylpiperidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 212.29 g/mol, XLogP of 0.42, 4 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-propan-2-ylacetamide is sourced from PubChem (CID 62654629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).