2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide

C13H24N2O2 — CID 62655401

IUPAC2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCC(C=O)CC1
InChIInChI=1S/C13H24N2O2/c1-4-13(2,3)14-12(17)9-15-7-5-11(10-16)6-8-15/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyOVJUBIXPPQBNPR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.20
Rot. Bonds5

About 2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide

2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 62655401) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID62655401
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCC(C=O)CC1
InChIInChI=1S/C13H24N2O2/c1-4-13(2,3)14-12(17)9-15-7-5-11(10-16)6-8-15/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyOVJUBIXPPQBNPR-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.20
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

N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119928203
methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60672509
2-(3-hydroxypyrrolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62918018
ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60673370
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 79411155
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 63101713
2-(3-hydroxypiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60672191
2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 62654269
2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 114507947
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 55204264
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60916171

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide (CID 62655401) is 2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN1CCC(C=O)CC1.
What is the InChIKey of 2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is OVJUBIXPPQBNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-13(2,3)14-12(17)9-15-7-5-11(10-16)6-8-15/h10-11H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.20, 5 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-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 62655401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).