N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide

C13H23N3O — CID 43696375

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide
SMILESO=C(NC1CCN2CCCC12)C1CCCCN1
InChIInChI=1S/C13H23N3O/c17-13(11-4-1-2-7-14-11)15-10-6-9-16-8-3-5-12(10)16/h10-12,14H,1-9H2,(H,15,17)
InChIKeyFVZLUPPBIPCXJM-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.48
Rot. Bonds2

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide (PubChem CID 43696375) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide
PubChem CID43696375
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide
SMILESO=C(NC1CCN2CCCC12)C1CCCCN1
InChIInChI=1S/C13H23N3O/c17-13(11-4-1-2-7-14-11)15-10-6-9-16-8-3-5-12(10)16/h10-12,14H,1-9H2,(H,15,17)
InChIKeyFVZLUPPBIPCXJM-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388899
(2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride
CID 119854314
(2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61178008
(3S)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896194
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-3-carboxamide
CID 43696376
(2R)-N-(1-cyclopentylpiperidin-4-yl)piperidine-2-carboxamide;dihydrochloride
CID 119846635
cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide
CID 94121437
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
N-(2-methylcyclohexyl)azepane-2-carboxamide
CID 64564160
N-cyclopentylazepane-2-carboxamide
CID 64564743
N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide
CID 64562992
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrrolidine-1-carboxamide
CID 115584130

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide (CID 43696375) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide is O=C(NC1CCN2CCCC12)C1CCCCN1.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide?
The InChIKey is FVZLUPPBIPCXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c17-13(11-4-1-2-7-14-11)15-10-6-9-16-8-3-5-12(10)16/h10-12,14H,1-9H2,(H,15,17).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide is sourced from PubChem (CID 43696375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).