7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone

C18H31N3O — CID 59333134

IUPAC7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
SMILESO=C(C1CC2(CCNCC2)C1)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C18H31N3O/c22-17(15-13-18(14-15)5-7-19-8-6-18)21-10-2-9-20(11-12-21)16-3-1-4-16/h15-16,19H,1-14H2
InChIKeyRAAAZBURPGNTLF-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.85
Rot. Bonds2

About 7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone

7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone (PubChem CID 59333134) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
PubChem CID59333134
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
SMILESO=C(C1CC2(CCNCC2)C1)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C18H31N3O/c22-17(15-13-18(14-15)5-7-19-8-6-18)21-10-2-9-20(11-12-21)16-3-1-4-16/h15-16,19H,1-14H2
InChIKeyRAAAZBURPGNTLF-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Cyclobutanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 110196189
5-[4-(2,3,3-Trimethylbutanoyl)piperazin-1-yl]azepan-2-one
CID 121582407
1-(Cyclobutylcarbonyl)-4-piperidin-4-yl-1,4-diazepane
CID 56710692
1-[(1-Ethylpiperidin-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one
CID 20798912
1-[(1-Ethylpiperidin-3-yl)methyl]-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 20798913
1-[(1-Ethylpiperidin-3-yl)methyl]-5-methyl-3-(methylamino)azepan-2-one
CID 20798914
1-[(1-Ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 20798915
1-[(1-Ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one
CID 20798916
1-[(1-Ethylpiperidin-4-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one
CID 20798920
1-[(1-Ethylpiperidin-4-yl)methyl]-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 20798921
1-[(1-Ethylpiperidin-4-yl)methyl]-5-methyl-3-(methylamino)azepan-2-one
CID 20798922
1-[(1-Ethylpiperidin-4-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 20798923

Frequently Asked Questions

What is the IUPAC name of 7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of 7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone (CID 59333134) is 7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for 7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for 7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone is O=C(C1CC2(CCNCC2)C1)N1CCCN(C2CCC2)CC1.
What is the InChIKey of 7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone?
The InChIKey is RAAAZBURPGNTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c22-17(15-13-18(14-15)5-7-19-8-6-18)21-10-2-9-20(11-12-21)16-3-1-4-16/h15-16,19H,1-14H2.
What are the key properties of 7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone?
7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone has a molecular weight of 305.47 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azaspiro[3.5]nonan-2-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 59333134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).