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

C21H39N3 — CID 174276776

IUPAC2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CCC3(CC2)CN(C2CCN(C)CC2)C3)CC1
InChIInChI=1S/C21H39N3/c1-18(2)14-20(6-7-20)15-23-12-8-21(9-13-23)16-24(17-21)19-4-10-22(3)11-5-19/h18-19H,4-17H2,1-3H3
InChIKeyGGAOOOGSSWVHOG-UHFFFAOYSA-N
MW333.56 g/mol
LogP3.30
Rot. Bonds5

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

2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 174276776) has the molecular formula C21H39N3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID174276776
Molecular FormulaC21H39N3
Molecular Weight333.56 g/mol
Exact Mass333.31
IUPAC Name2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CCC3(CC2)CN(C2CCN(C)CC2)C3)CC1
InChIInChI=1S/C21H39N3/c1-18(2)14-20(6-7-20)15-23-12-8-21(9-13-23)16-24(17-21)19-4-10-22(3)11-5-19/h18-19H,4-17H2,1-3H3
InChIKeyGGAOOOGSSWVHOG-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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane (CID 174276776) is 2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane is CC(C)CC1(CN2CCC3(CC2)CN(C2CCN(C)CC2)C3)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is GGAOOOGSSWVHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3/c1-18(2)14-20(6-7-20)15-23-12-8-21(9-13-23)16-24(17-21)19-4-10-22(3)11-5-19/h18-19H,4-17H2,1-3H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
2-(1-methylpiperidin-4-yl)-7-[[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 2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 174276776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).