1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one

C17H25N3O — CID 114289996

IUPAC1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one
SMILESO=C(CCc1ccccn1)N1CCNCC12CCCCC2
InChIInChI=1S/C17H25N3O/c21-16(8-7-15-6-2-5-11-19-15)20-13-12-18-14-17(20)9-3-1-4-10-17/h2,5-6,11,18H,1,3-4,7-10,12-14H2
InChIKeyJEMPXOICHHMGLF-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.15
Rot. Bonds3

About 1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one

1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one (PubChem CID 114289996) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one
PubChem CID114289996
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one
SMILESO=C(CCc1ccccn1)N1CCNCC12CCCCC2
InChIInChI=1S/C17H25N3O/c21-16(8-7-15-6-2-5-11-19-15)20-13-12-18-14-17(20)9-3-1-4-10-17/h2,5-6,11,18H,1,3-4,7-10,12-14H2
InChIKeyJEMPXOICHHMGLF-UHFFFAOYSA-N
XLogP2.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one
CID 81483874
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
(3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone
CID 107520090
4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
CID 120613659
1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-3-pyridin-2-ylpropan-1-one
CID 115275314
3-pyridin-2-yl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 114289968
1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72923202
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 136534066
1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 114289949
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one (CID 114289996) is 1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one is O=C(CCc1ccccn1)N1CCNCC12CCCCC2.
What is the InChIKey of 1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one?
The InChIKey is JEMPXOICHHMGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-16(8-7-15-6-2-5-11-19-15)20-13-12-18-14-17(20)9-3-1-4-10-17/h2,5-6,11,18H,1,3-4,7-10,12-14H2.
What are the key properties of 1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one?
1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one has a molecular weight of 287.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 114289996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).