(2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride

C14H27Cl2N3O — CID 119854314

IUPAC(2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN2CCCC2C1)[C@H]1CCCCN1
InChIInChI=1S/C14H25N3O.2ClH/c18-14(13-5-1-2-7-15-13)16-11-6-9-17-8-3-4-12(17)10-11;;/h11-13,15H,1-10H2,(H,16,18);2*1H/t11?,12?,13-;;/m1../s1
InChIKeyLLCUHCDKMFVMPA-TWBWQIQPSA-N
MW324.30 g/mol
LogP1.72
Rot. Bonds2

About (2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride

(2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride (PubChem CID 119854314) has the molecular formula C14H27Cl2N3O and a molecular weight of 324.30 g/mol. Its IUPAC name is (2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride
PubChem CID119854314
Molecular FormulaC14H27Cl2N3O
Molecular Weight324.30 g/mol
Exact Mass323.15
IUPAC Name(2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN2CCCC2C1)[C@H]1CCCCN1
InChIInChI=1S/C14H25N3O.2ClH/c18-14(13-5-1-2-7-15-13)16-11-6-9-17-8-3-4-12(17)10-11;;/h11-13,15H,1-10H2,(H,16,18);2*1H/t11?,12?,13-;;/m1../s1
InChIKeyLLCUHCDKMFVMPA-TWBWQIQPSA-N
XLogP1.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

(2R)-N-(1-cyclopentylpiperidin-4-yl)piperidine-2-carboxamide;dihydrochloride
CID 119846635
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 81494437
(2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119864828
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119854358
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide
CID 43696375
N-cyclopentylazepane-2-carboxamide
CID 64564743
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)morpholine-2-carboxamide;dihydrochloride
CID 119854357
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide
CID 103808776
N-(1-cyclopropylpiperidin-4-yl)-4-methylpiperidine-2-carboxamide
CID 114423145
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983234
(2R)-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119841057

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride (CID 119854314) is (2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCN2CCCC2C1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride?
The InChIKey is LLCUHCDKMFVMPA-TWBWQIQPSA-N. The full InChI is InChI=1S/C14H25N3O.2ClH/c18-14(13-5-1-2-7-15-13)16-11-6-9-17-8-3-4-12(17)10-11;;/h11-13,15H,1-10H2,(H,16,18);2*1H/t11?,12?,13-;;/m1../s1.
What are the key properties of (2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride?
(2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride has a molecular weight of 324.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119854314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).