N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide

C16H28N2O2 — CID 108520617

IUPACN-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CC(C)CN(C(=O)C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C16H28N2O2/c1-12-9-13(2)11-18(10-12)16(20)15(19)17-14-7-5-3-4-6-8-14/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyWNKSQBYEQIKGSO-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds1

About N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide

N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108520617) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108520617
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CC(C)CN(C(=O)C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C16H28N2O2/c1-12-9-13(2)11-18(10-12)16(20)15(19)17-14-7-5-3-4-6-8-14/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyWNKSQBYEQIKGSO-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
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

(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142
N-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503876
N-cycloheptyl-2-oxo-2-piperidin-1-ylacetamide
CID 2288056
2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide
CID 108504369
2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide
CID 108508318
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
CID 2457101
(3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
CID 2457098
2-(azetidin-1-yl)-N-cyclobutyl-2-oxoacetamide
CID 131176582
3-amino-N-cyclohexyl-5-methylpiperidine-1-carboxamide
CID 79993898
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 111154151
N-cyclohexyl-2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111153660

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide (CID 108520617) is N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide is CC1CC(C)CN(C(=O)C(=O)NC2CCCCCC2)C1.
What is the InChIKey of N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is WNKSQBYEQIKGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12-9-13(2)11-18(10-12)16(20)15(19)17-14-7-5-3-4-6-8-14/h12-14H,3-11H2,1-2H3,(H,17,19).
What are the key properties of N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 280.41 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108520617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).