2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide

C16H30N2O2 — CID 108504586

IUPAC2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC1CCN(C(=O)C(=O)NC(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-12-7-9-18(10-8-12)14(20)13(19)17-16(5,6)11-15(2,3)4/h12H,7-11H2,1-6H3,(H,17,19)
InChIKeyDGVLMHSQXDSTCZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.58
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide

2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 108504586) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID108504586
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC1CCN(C(=O)C(=O)NC(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-12-7-9-18(10-8-12)14(20)13(19)17-16(5,6)11-15(2,3)4/h12H,7-11H2,1-6H3,(H,17,19)
InChIKeyDGVLMHSQXDSTCZ-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 70915057
3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 64700228
N-(5-hydroxypentyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504582
N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 22558493
2-methyl-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 62835421
N-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504628
3-methyl-3-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 64700727
2-(2,6-dimethylmorpholin-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxoacetamide
CID 108504128
2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide
CID 19176069
(3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120315
N,N-dimethyl-4-(2,4,4-trimethylpentan-2-ylamino)piperidine-1-carboxamide
CID 83262362
2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanoic acid
CID 82813575

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 108504586) is 2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide is CC1CCN(C(=O)C(=O)NC(C)(C)CC(C)(C)C)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is DGVLMHSQXDSTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-7-9-18(10-8-12)14(20)13(19)17-16(5,6)11-15(2,3)4/h12H,7-11H2,1-6H3,(H,17,19).
What are the key properties of 2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide?
2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 282.43 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 108504586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).