N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide

C12H21N3O — CID 18072827

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)C1CCCN1
InChIInChI=1S/C12H21N3O/c16-12(10-2-1-5-13-10)14-11-8-15-6-3-9(11)4-7-15/h9-11,13H,1-8H2,(H,14,16)
InChIKeyLRSGQJUSOQRSIU-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.05
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide (PubChem CID 18072827) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide
PubChem CID18072827
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)C1CCCN1
InChIInChI=1S/C12H21N3O/c16-12(10-2-1-5-13-10)14-11-8-15-6-3-9(11)4-7-15/h9-11,13H,1-8H2,(H,14,16)
InChIKeyLRSGQJUSOQRSIU-UHFFFAOYSA-N
XLogP-0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-carboxamide
CID 62340806
N-(2-cyclopropylcyclopropyl)pyrrolidine-2-carboxamide
CID 130748065
(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 130690073
(2S)-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 89303395
N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119327690
N-(2-methylcyclopentyl)pyrrolidine-2-carboxamide
CID 63281892
N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 110911866
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide
CID 24695324
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
N-(1-ethylazetidin-3-yl)pyrrolidine-2-carboxamide
CID 130638003
(2S)-N-[2-(hydroxymethyl)cyclopentyl]pyrrolidine-2-carboxamide
CID 103796945
(2R)-N-[2-(hydroxymethyl)cyclopentyl]pyrrolidine-2-carboxamide
CID 103796942

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide (CID 18072827) is N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide is O=C(NC1CN2CCC1CC2)C1CCCN1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is LRSGQJUSOQRSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c16-12(10-2-1-5-13-10)14-11-8-15-6-3-9(11)4-7-15/h9-11,13H,1-8H2,(H,14,16).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 223.32 g/mol, XLogP of -0.05, 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)pyrrolidine-2-carboxamide is sourced from PubChem (CID 18072827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).