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

C13H23N3O — CID 63138598

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC2CN3CCC2CC3)CCNC1
InChIInChI=1S/C13H23N3O/c1-13(4-5-14-9-13)12(17)15-11-8-16-6-2-10(11)3-7-16/h10-11,14H,2-9H2,1H3,(H,15,17)
InChIKeySYZAWZVQIYAEFH-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.20
Rot. Bonds2

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 63138598) 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)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-carboxamide
PubChem CID63138598
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC2CN3CCC2CC3)CCNC1
InChIInChI=1S/C13H23N3O/c1-13(4-5-14-9-13)12(17)15-11-8-16-6-2-10(11)3-7-16/h10-11,14H,2-9H2,1H3,(H,15,17)
InChIKeySYZAWZVQIYAEFH-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

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708403
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide
CID 104596076
N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide
CID 63139427
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide
CID 114629667
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119864812
3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119779385
3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide
CID 115738917
N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide
CID 63142128
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-carbamothioylcyclobutane-1-carboxamide
CID 80591990
3-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide
CID 63139513
(3R,5R)-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-fluoroethyl)-5-methyladamantane-1-carboxamide
CID 137436279
N-(2-hydroxycyclohexyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 110931002

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-carboxamide (CID 63138598) is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)NC2CN3CCC2CC3)CCNC1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is SYZAWZVQIYAEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(4-5-14-9-13)12(17)15-11-8-16-6-2-10(11)3-7-16/h10-11,14H,2-9H2,1H3,(H,15,17).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-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)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63138598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).