7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane

C23H45N5 — CID 176568917

IUPAC7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)N1CCC(N2CCN(CN3CC4(CCN(C(C)C)CC4)C3)CC2)CC1
InChIInChI=1S/C23H45N5/c1-20(2)26-9-5-22(6-10-26)28-15-13-24(14-16-28)19-25-17-23(18-25)7-11-27(12-8-23)21(3)4/h20-22H,5-19H2,1-4H3
InChIKeyZXQPPPUXXVFNHD-UHFFFAOYSA-N
MW391.65 g/mol
LogP2.24
Rot. Bonds5

About 7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane

7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 176568917) has the molecular formula C23H45N5 and a molecular weight of 391.65 g/mol. Its IUPAC name is 7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID176568917
Molecular FormulaC23H45N5
Molecular Weight391.65 g/mol
Exact Mass391.37
IUPAC Name7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)N1CCC(N2CCN(CN3CC4(CCN(C(C)C)CC4)C3)CC2)CC1
InChIInChI=1S/C23H45N5/c1-20(2)26-9-5-22(6-10-26)28-15-13-24(14-16-28)19-25-17-23(18-25)7-11-27(12-8-23)21(3)4/h20-22H,5-19H2,1-4H3
InChIKeyZXQPPPUXXVFNHD-UHFFFAOYSA-N
XLogP2.24
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.65
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-propan-2-yl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 120901550
7-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-7-azaspiro[3.5]nonane
CID 166030716
7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 177083654
1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 166118536
6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
CID 171748237
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-propan-2-yl-4-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]azepane
CID 177124057
7-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane
CID 155218609
7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene
CID 176984351
2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 174168119

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane (CID 176568917) is 7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane is CC(C)N1CCC(N2CCN(CN3CC4(CCN(C(C)C)CC4)C3)CC2)CC1.
What is the InChIKey of 7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is ZXQPPPUXXVFNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N5/c1-20(2)26-9-5-22(6-10-26)28-15-13-24(14-16-28)19-25-17-23(18-25)7-11-27(12-8-23)21(3)4/h20-22H,5-19H2,1-4H3.
What are the key properties of 7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane?
7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 391.65 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 176568917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).