2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone

C13H19N3O — CID 115276474

IUPAC2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCC2(CCNC2)CC1
InChIInChI=1S/C13H19N3O/c17-12(11-2-1-6-15-11)16-8-4-13(5-9-16)3-7-14-10-13/h1-2,6,14-15H,3-5,7-10H2
InChIKeyOGCGACAPMMYLNS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.23
Rot. Bonds1

About 2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone

2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone (PubChem CID 115276474) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone
PubChem CID115276474
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCC2(CCNC2)CC1
InChIInChI=1S/C13H19N3O/c17-12(11-2-1-6-15-11)16-8-4-13(5-9-16)3-7-14-10-13/h1-2,6,14-15H,3-5,7-10H2
InChIKeyOGCGACAPMMYLNS-UHFFFAOYSA-N
XLogP1.23
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone
CID 115276479
[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 113341756
2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone
CID 82038235
(2-chlorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 82038205
4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61128995
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
(4-phenylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 51210665
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-phenylethanone
CID 82038242
2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
CID 82038241
4-(1H-pyrrole-2-carbonyl)-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]piperazine-1-carboxamide
CID 126426198
1-(2,8-diazaspiro[4.5]decan-8-yl)propan-1-one;hydrochloride
CID 130744658
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone?
The IUPAC name of 2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone (CID 115276474) is 2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for 2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone?
The canonical SMILES for 2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCC2(CCNC2)CC1.
What is the InChIKey of 2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone?
The InChIKey is OGCGACAPMMYLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-12(11-2-1-6-15-11)16-8-4-13(5-9-16)3-7-14-10-13/h1-2,6,14-15H,3-5,7-10H2.
What are the key properties of 2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone?
2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 115276474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).