N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C13H21N3O2 — CID 119457640

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC2CC3CCC(C2)N3)CC1=O
InChIInChI=1S/C13H21N3O2/c1-16-7-8(4-12(16)17)13(18)15-11-5-9-2-3-10(6-11)14-9/h8-11,14H,2-7H2,1H3,(H,15,18)
InChIKeyPCHHQFGRLOLNHW-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.14
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 119457640) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID119457640
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC2CC3CCC(C2)N3)CC1=O
InChIInChI=1S/C13H21N3O2/c1-16-7-8(4-12(16)17)13(18)15-11-5-9-2-3-10(6-11)14-9/h8-11,14H,2-7H2,1H3,(H,15,18)
InChIKeyPCHHQFGRLOLNHW-UHFFFAOYSA-N
XLogP-0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120600934
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119459613
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119459681
(3R)-1-methyl-5-oxo-N-(4-propan-2-yloxycyclohexyl)pyrrolidine-3-carboxamide
CID 97240549
N-(8-azabicyclo[3.2.1]octan-3-yl)cyclooctanecarboxamide
CID 65023449
(2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 120627814
3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119758188
(4R,8R)-8-(cyclobutylamino)-N-cyclopropyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75411799
N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129370733
N-(1-benzylpyrrolidin-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75460856
3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119758195
N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119603187

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 119457640) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NC2CC3CCC(C2)N3)CC1=O.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PCHHQFGRLOLNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16-7-8(4-12(16)17)13(18)15-11-5-9-2-3-10(6-11)14-9/h8-11,14H,2-7H2,1H3,(H,15,18).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119457640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).