N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide

C17H28N2O2 — CID 108523448

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC(NC(=O)C(=O)N1CCCCC1C)C1CC2CCC1C2
InChIInChI=1S/C17H28N2O2/c1-11-5-3-4-8-19(11)17(21)16(20)18-12(2)15-10-13-6-7-14(15)9-13/h11-15H,3-10H2,1-2H3,(H,18,20)
InChIKeyOBRRQSZMXPSOMB-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.33
Rot. Bonds2

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108523448) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108523448
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC(NC(=O)C(=O)N1CCCCC1C)C1CC2CCC1C2
InChIInChI=1S/C17H28N2O2/c1-11-5-3-4-8-19(11)17(21)16(20)18-12(2)15-10-13-6-7-14(15)9-13/h11-15H,3-10H2,1-2H3,(H,18,20)
InChIKeyOBRRQSZMXPSOMB-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-yl-2-oxoacetamide
CID 108509773
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide
CID 115583046
N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108505442
1-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclohexane-1,4-dicarboxamide
CID 98390836
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylacetamide
CID 6981850
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylacetamide
CID 98219029
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504925
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 43179794
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977834
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 78765721
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (CID 108523448) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide is CC(NC(=O)C(=O)N1CCCCC1C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is OBRRQSZMXPSOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11-5-3-4-8-19(11)17(21)16(20)18-12(2)15-10-13-6-7-14(15)9-13/h11-15H,3-10H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 292.42 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108523448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).