N-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide

C13H23N3O — CID 18072178

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
SMILESO=C(NC1CN2CCC1CC2)C1CCNCC1
InChIInChI=1S/C13H23N3O/c17-13(11-1-5-14-6-2-11)15-12-9-16-7-3-10(12)4-8-16/h10-12,14H,1-9H2,(H,15,17)
InChIKeyZQWRVSWMSKIZIE-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.20
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide (PubChem CID 18072178) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
PubChem CID18072178
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
SMILESO=C(NC1CN2CCC1CC2)C1CCNCC1
InChIInChI=1S/C13H23N3O/c17-13(11-1-5-14-6-2-11)15-12-9-16-7-3-10(12)4-8-16/h10-12,14H,1-9H2,(H,15,17)
InChIKeyZQWRVSWMSKIZIE-UHFFFAOYSA-N
XLogP0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-(piperidine-4-carbonyl)piperazine
CID 2760037
Piperazin-1-yl(piperidin-4-yl)methanone
CID 22721869
4-(1-Methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789946
N-1-Azabicyclo[2.2.2]oct-3-ylacetamide
CID 5149592
1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
CID 118254851
N-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
CID 118254852
[4-(3-Fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 144642085
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide
CID 952691
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide
CID 952722
3-Methyl-8-acetaminoquinuclidine
CID 129796608
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952724
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]acetamide
CID 952692

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide (CID 18072178) is N-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide is O=C(NC1CN2CCC1CC2)C1CCNCC1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
The InChIKey is ZQWRVSWMSKIZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c17-13(11-1-5-14-6-2-11)15-12-9-16-7-3-10(12)4-8-16/h10-12,14H,1-9H2,(H,15,17).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 18072178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).