N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide

C9H16N2O — CID 952691

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN2CCC1CC2
InChIInChI=1S/C9H16N2O/c1-7(12)10-9-6-11-4-2-8(9)3-5-11/h8-9H,2-6H2,1H3,(H,10,12)/t9-/m0/s1
InChIKeyUSNCYWOZRFYMOR-VIFPVBQESA-N
MW168.24 g/mol
LogP0.22
Rot. Bonds1

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide (PubChem CID 952691) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide
PubChem CID952691
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN2CCC1CC2
InChIInChI=1S/C9H16N2O/c1-7(12)10-9-6-11-4-2-8(9)3-5-11/h8-9H,2-6H2,1H3,(H,10,12)/t9-/m0/s1
InChIKeyUSNCYWOZRFYMOR-VIFPVBQESA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,6-Diazabicyclo[3.1.1]heptan-3-yl)-2-methylpropan-1-one
CID 53242130
1-[[1-(3-Methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281028
1-[[1-(2-Ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281026
(6S)-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359787
1-Methyl-4-(piperidine-4-carbonyl)piperazine
CID 2760037
1-(4-Methylpiperazin-1-yl)-2-(piperidin-4-yl)ethan-1-one
CID 24702180
1-(4-Ethylpiperazin-1-yl)-2-(piperidin-4-yl)ethan-1-one
CID 24703734
1-(2,5-Diazabicyclo(2.2.2)octan-2-yl)ethan-1-one hydrochloride
CID 66787521
1-acetyl-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 6464517
(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281037
1-[[1-(2-Methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281027
(6S)-1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359788

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide (CID 952691) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide is CC(=O)N[C@H]1CN2CCC1CC2.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide?
The InChIKey is USNCYWOZRFYMOR-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(12)10-9-6-11-4-2-8(9)3-5-11/h8-9H,2-6H2,1H3,(H,10,12)/t9-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide has a molecular weight of 168.24 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide is sourced from PubChem (CID 952691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).