7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane

C34H65N7 — CID 170363968

IUPAC7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)(CCC(C)(N1CCC2(CC1)CNC2)C(C)(CCC(C)(C)N1CC2(CCNC2)C1)N1CCNCC1)C1CNC1
InChIInChI=1S/C34H65N7/c1-29(2,28-21-37-22-28)7-9-31(5,39-17-12-33(13-18-39)23-38-24-33)32(6,40-19-15-35-16-20-40)10-8-30(3,4)41-26-34(27-41)11-14-36-25-34/h28,35-38H,7-27H2,1-6H3
InChIKeyFYYSCEFFQRLUFP-UHFFFAOYSA-N
MW571.94 g/mol
LogP2.97
Rot. Bonds11

About 7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane

7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane (PubChem CID 170363968) has the molecular formula C34H65N7 and a molecular weight of 571.94 g/mol. Its IUPAC name is 7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane
PubChem CID170363968
Molecular FormulaC34H65N7
Molecular Weight571.94 g/mol
Exact Mass571.53
IUPAC Name7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)(CCC(C)(N1CCC2(CC1)CNC2)C(C)(CCC(C)(C)N1CC2(CCNC2)C1)N1CCNCC1)C1CNC1
InChIInChI=1S/C34H65N7/c1-29(2,28-21-37-22-28)7-9-31(5,39-17-12-33(13-18-39)23-38-24-33)32(6,40-19-15-35-16-20-40)10-8-30(3,4)41-26-34(27-41)11-14-36-25-34/h28,35-38H,7-27H2,1-6H3
InChIKeyFYYSCEFFQRLUFP-UHFFFAOYSA-N
XLogP2.97
TPSA57.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.94
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane (CID 170363968) is 7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane is CC(C)(CCC(C)(N1CCC2(CC1)CNC2)C(C)(CCC(C)(C)N1CC2(CCNC2)C1)N1CCNCC1)C1CNC1.
What is the InChIKey of 7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is FYYSCEFFQRLUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H65N7/c1-29(2,28-21-37-22-28)7-9-31(5,39-17-12-33(13-18-39)23-38-24-33)32(6,40-19-15-35-16-20-40)10-8-30(3,4)41-26-34(27-41)11-14-36-25-34/h28,35-38H,7-27H2,1-6H3.
What are the key properties of 7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane?
7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 571.94 g/mol, XLogP of 2.97, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 170363968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).