3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride

C13H19Cl2N3O — CID 118742153

IUPAC3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride
SMILESCl.Cl.O=C1NC2(CCNCC2)CC1c1ccncc1
InChIInChI=1S/C13H17N3O.2ClH/c17-12-11(10-1-5-14-6-2-10)9-13(16-12)3-7-15-8-4-13;;/h1-2,5-6,11,15H,3-4,7-9H2,(H,16,17);2*1H
InChIKeyUHYLZVZEOBZTBX-UHFFFAOYSA-N
MW304.22 g/mol
LogP1.65
Rot. Bonds1

About 3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride

3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride (PubChem CID 118742153) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride.

Molecular Properties

Compound Name3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride
PubChem CID118742153
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride
SMILESCl.Cl.O=C1NC2(CCNCC2)CC1c1ccncc1
InChIInChI=1S/C13H17N3O.2ClH/c17-12-11(10-1-5-14-6-2-10)9-13(16-12)3-7-15-8-4-13;;/h1-2,5-6,11,15H,3-4,7-9H2,(H,16,17);2*1H
InChIKeyUHYLZVZEOBZTBX-UHFFFAOYSA-N
XLogP1.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469612
8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072421
8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131651628
8-(furan-3-ylmethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118746825
8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072418
(3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 124914058
3-pyridin-4-yl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 171706601
3-pyridin-4-yl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;tris(2,2,2-trifluoroacetic acid)
CID 171686237
8-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155854173
8-(furan-2-ylmethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155830504
(3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469532
3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134072386

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
The IUPAC name of 3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride (CID 118742153) is 3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride.
What is the SMILES notation for 3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
The canonical SMILES for 3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride is Cl.Cl.O=C1NC2(CCNCC2)CC1c1ccncc1.
What is the InChIKey of 3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
The InChIKey is UHYLZVZEOBZTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.2ClH/c17-12-11(10-1-5-14-6-2-10)9-13(16-12)3-7-15-8-4-13;;/h1-2,5-6,11,15H,3-4,7-9H2,(H,16,17);2*1H.
What are the key properties of 3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride has a molecular weight of 304.22 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride is sourced from PubChem (CID 118742153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).