3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one

C19H35N3O — CID 50958689

IUPAC3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one
SMILESCN1CCC2(CCN(C(=O)CCN3CCCCCCC3)CC2)C1
InChIInChI=1S/C19H35N3O/c1-20-14-8-19(17-20)9-15-22(16-10-19)18(23)7-13-21-11-5-3-2-4-6-12-21/h2-17H2,1H3
InChIKeyQPZCVIVSEYIXTG-UHFFFAOYSA-N
MW321.51 g/mol
LogP2.59
Rot. Bonds3

About 3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one

3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one (PubChem CID 50958689) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one.

Molecular Properties

Compound Name3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one
PubChem CID50958689
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one
SMILESCN1CCC2(CCN(C(=O)CCN3CCCCCCC3)CC2)C1
InChIInChI=1S/C19H35N3O/c1-20-14-8-19(17-20)9-15-22(16-10-19)18(23)7-13-21-11-5-3-2-4-6-12-21/h2-17H2,1H3
InChIKeyQPZCVIVSEYIXTG-UHFFFAOYSA-N
XLogP2.59
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 56740413
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 3066008
3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97157011
3-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 72941270
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanol
CID 71647927
1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione
CID 50964654
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86931018
1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one
CID 97189725
1-(azepan-1-yl)-4-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)butane-1,4-dione
CID 56755352

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one?
The IUPAC name of 3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one (CID 50958689) is 3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one.
What is the SMILES notation for 3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one?
The canonical SMILES for 3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one is CN1CCC2(CCN(C(=O)CCN3CCCCCCC3)CC2)C1.
What is the InChIKey of 3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one?
The InChIKey is QPZCVIVSEYIXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-20-14-8-19(17-20)9-15-22(16-10-19)18(23)7-13-21-11-5-3-2-4-6-12-21/h2-17H2,1H3.
What are the key properties of 3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one?
3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one has a molecular weight of 321.51 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one is sourced from PubChem (CID 50958689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).