6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane

C21H39N3 — CID 171748237

IUPAC6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
SMILESCC(C)CC1(CN2CC3(C2)CN(C2CCN(C(C)C)CC2)C3)CC1
InChIInChI=1S/C21H39N3/c1-17(2)11-20(7-8-20)12-22-13-21(14-22)15-24(16-21)19-5-9-23(10-6-19)18(3)4/h17-19H,5-16H2,1-4H3
InChIKeyVPWFVLKVOOFCNK-UHFFFAOYSA-N
MW333.56 g/mol
LogP3.30
Rot. Bonds6

About 6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane

6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane (PubChem CID 171748237) has the molecular formula C21H39N3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
PubChem CID171748237
Molecular FormulaC21H39N3
Molecular Weight333.56 g/mol
Exact Mass333.31
IUPAC Name6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
SMILESCC(C)CC1(CN2CC3(C2)CN(C2CCN(C(C)C)CC2)C3)CC1
InChIInChI=1S/C21H39N3/c1-17(2)11-20(7-8-20)12-22-13-21(14-22)15-24(16-21)19-5-9-23(10-6-19)18(3)4/h17-19H,5-16H2,1-4H3
InChIKeyVPWFVLKVOOFCNK-UHFFFAOYSA-N
XLogP3.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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 6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane with MolForge

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Related Compounds

7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276821
2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276776
1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
CID 171748359
4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
CID 171748518
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
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
1-[[1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 171748431
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane
CID 171748275
7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 176568917
3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane
CID 171748388

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane (CID 171748237) is 6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane is CC(C)CC1(CN2CC3(C2)CN(C2CCN(C(C)C)CC2)C3)CC1.
What is the InChIKey of 6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is VPWFVLKVOOFCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3/c1-17(2)11-20(7-8-20)12-22-13-21(14-22)15-24(16-21)19-5-9-23(10-6-19)18(3)4/h17-19H,5-16H2,1-4H3.
What are the key properties of 6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane?
6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 333.56 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 171748237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).