2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane

C23H43N3 — CID 174276720

IUPAC2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CCC3(CC2)CC(CN2CCN(C)C[C@H]2C)C3)CC1
InChIInChI=1S/C23H43N3/c1-19(2)13-23(5-6-23)18-25-9-7-22(8-10-25)14-21(15-22)17-26-12-11-24(4)16-20(26)3/h19-21H,5-18H2,1-4H3/t20-/m1/s1
InChIKeyNZXOZEBSTRSKEA-HXUWFJFHSA-N
MW361.62 g/mol
LogP3.94
Rot. Bonds6

About 2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane

2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane (PubChem CID 174276720) has the molecular formula C23H43N3 and a molecular weight of 361.62 g/mol. Its IUPAC name is 2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane
PubChem CID174276720
Molecular FormulaC23H43N3
Molecular Weight361.62 g/mol
Exact Mass361.35
IUPAC Name2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CCC3(CC2)CC(CN2CCN(C)C[C@H]2C)C3)CC1
InChIInChI=1S/C23H43N3/c1-19(2)13-23(5-6-23)18-25-9-7-22(8-10-25)14-21(15-22)17-26-12-11-24(4)16-20(26)3/h19-21H,5-18H2,1-4H3/t20-/m1/s1
InChIKeyNZXOZEBSTRSKEA-HXUWFJFHSA-N
XLogP3.94
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane with MolForge

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Related Compounds

3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane
CID 174276682
2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276776
9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 171748190
7-methyl-2-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174349945
9-fluoro-9-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane
CID 174276695
6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 174276566
7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276821
(2S)-2,4-dimethyl-1-(2-methylpropyl)piperazine
CID 171515421
(1S,4R,5R)-5-[(4-methylpiperazin-1-yl)methyl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azabicyclo[2.2.1]heptane
CID 174276432
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174274213
7-[[1-(2-methylpentyl)cyclopropyl]methyl]-2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174274966
(2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine
CID 174349776

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane (CID 174276720) is 2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane is CC(C)CC1(CN2CCC3(CC2)CC(CN2CCN(C)C[C@H]2C)C3)CC1.
What is the InChIKey of 2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane?
The InChIKey is NZXOZEBSTRSKEA-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H43N3/c1-19(2)13-23(5-6-23)18-25-9-7-22(8-10-25)14-21(15-22)17-26-12-11-24(4)16-20(26)3/h19-21H,5-18H2,1-4H3/t20-/m1/s1.
What are the key properties of 2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane?
2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane has a molecular weight of 361.62 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 174276720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).