2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride

C15H29Cl2N5O — CID 119932594

IUPAC2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride
SMILESCC(C)(N)c1noc(CN2CCC(N3CCCCC3)C2)n1.Cl.Cl
InChIInChI=1S/C15H27N5O.2ClH/c1-15(2,16)14-17-13(21-18-14)11-19-9-6-12(10-19)20-7-4-3-5-8-20;;/h12H,3-11,16H2,1-2H3;2*1H
InChIKeyJEWNGGSJAXCVHS-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.17
Rot. Bonds4

About 2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride

2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride (PubChem CID 119932594) has the molecular formula C15H29Cl2N5O and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride.

Molecular Properties

Compound Name2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride
PubChem CID119932594
Molecular FormulaC15H29Cl2N5O
Molecular Weight366.34 g/mol
Exact Mass365.17
IUPAC Name2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride
SMILESCC(C)(N)c1noc(CN2CCC(N3CCCCC3)C2)n1.Cl.Cl
InChIInChI=1S/C15H27N5O.2ClH/c1-15(2,16)14-17-13(21-18-14)11-19-9-6-12(10-19)20-7-4-3-5-8-20;;/h12H,3-11,16H2,1-2H3;2*1H
InChIKeyJEWNGGSJAXCVHS-UHFFFAOYSA-N
XLogP2.17
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(4-cyclopentylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride
CID 119932558
2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63624443
[1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol
CID 106837116
2-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119931315
2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119932121
5-(3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepin-2-ylmethyl)-3-methyl-1,2,4-oxadiazole
CID 79925675
2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 54857179
2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 114538081
2-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119930542
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553341
(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 102977355
2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63160844

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride?
The IUPAC name of 2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride (CID 119932594) is 2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride.
What is the SMILES notation for 2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride?
The canonical SMILES for 2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride is CC(C)(N)c1noc(CN2CCC(N3CCCCC3)C2)n1.Cl.Cl.
What is the InChIKey of 2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride?
The InChIKey is JEWNGGSJAXCVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O.2ClH/c1-15(2,16)14-17-13(21-18-14)11-19-9-6-12(10-19)20-7-4-3-5-8-20;;/h12H,3-11,16H2,1-2H3;2*1H.
What are the key properties of 2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride?
2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride has a molecular weight of 366.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride is sourced from PubChem (CID 119932594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).