[(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

C18H26N4O — CID 125174143

IUPAC[(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C([C@@H]1CC12CCNCC2)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H26N4O/c23-17(16-12-18(16)3-6-19-7-4-18)22-10-8-21(9-11-22)14-15-2-1-5-20-13-15/h1-2,5,13,16,19H,3-4,6-12,14H2/t16-/m0/s1
InChIKeyHIDBEDIIXVRNGE-INIZCTEOSA-N
MW314.43 g/mol
LogP1.12
Rot. Bonds3

About [(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

[(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 125174143) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is [(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID125174143
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name[(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C([C@@H]1CC12CCNCC2)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H26N4O/c23-17(16-12-18(16)3-6-19-7-4-18)22-10-8-21(9-11-22)14-15-2-1-5-20-13-15/h1-2,5,13,16,19H,3-4,6-12,14H2/t16-/m0/s1
InChIKeyHIDBEDIIXVRNGE-INIZCTEOSA-N
XLogP1.12
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 66235230
2-(1-adamantyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 19572572
6-benzyl-N-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126462699
1-[2-(4-benzylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-3-phenylpropan-1-one
CID 126466867
morpholin-4-yl-[(5R,9R)-2-(pyridin-3-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 124787358
(4,4-difluoropiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
CID 155975853
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 95588252
morpholin-4-yl-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanone
CID 134075679
piperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56874648
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
(2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492624
N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 121229553

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (CID 125174143) is [(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is O=C([C@@H]1CC12CCNCC2)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of [(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is HIDBEDIIXVRNGE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N4O/c23-17(16-12-18(16)3-6-19-7-4-18)22-10-8-21(9-11-22)14-15-2-1-5-20-13-15/h1-2,5,13,16,19H,3-4,6-12,14H2/t16-/m0/s1.
What are the key properties of [(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
[(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 314.43 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 125174143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).