7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane

C21H39N3 — CID 174276821

IUPAC7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CC3(CCN(C4CCN(C)CC4)CC3)C2)CC1
InChIInChI=1S/C21H39N3/c1-18(2)14-20(6-7-20)15-23-16-21(17-23)8-12-24(13-9-21)19-4-10-22(3)11-5-19/h18-19H,4-17H2,1-3H3
InChIKeyITZJPMMTARCWFC-UHFFFAOYSA-N
MW333.56 g/mol
LogP3.30
Rot. Bonds5

About 7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane

7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 174276821) has the molecular formula C21H39N3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID174276821
Molecular FormulaC21H39N3
Molecular Weight333.56 g/mol
Exact Mass333.31
IUPAC Name7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CC3(CCN(C4CCN(C)CC4)CC3)C2)CC1
InChIInChI=1S/C21H39N3/c1-18(2)14-20(6-7-20)15-23-16-21(17-23)8-12-24(13-9-21)19-4-10-22(3)11-5-19/h18-19H,4-17H2,1-3H3
InChIKeyITZJPMMTARCWFC-UHFFFAOYSA-N
XLogP3.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane with MolForge

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Related Compounds

2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276776
3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane
CID 174276682
6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
CID 171748237
7-methyl-2-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174349945
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-[[1-(2-methylpentyl)cyclopropyl]methyl]-2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174274966
8-methyl-2-(1-methylpiperidin-4-yl)-2,8-diazaspiro[4.5]decane
CID 155218569
1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
CID 171748359
2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 171748434
7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 177083654
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

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane (CID 174276821) is 7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane is CC(C)CC1(CN2CC3(CCN(C4CCN(C)CC4)CC3)C2)CC1.
What is the InChIKey of 7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is ITZJPMMTARCWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3/c1-18(2)14-20(6-7-20)15-23-16-21(17-23)8-12-24(13-9-21)19-4-10-22(3)11-5-19/h18-19H,4-17H2,1-3H3.
What are the key properties of 7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 333.56 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 174276821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).