1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane

C29H53N3O — CID 170076571

IUPAC1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane
SMILESCC(C)N1CCCC2(CC(CC(C)N3CCC(C4CCC5(CCOC5)N4C(C)C)CC3)C2)C1
InChIInChI=1S/C29H53N3O/c1-22(2)31-13-6-10-28(20-31)18-25(19-28)17-24(5)30-14-8-26(9-15-30)27-7-11-29(12-16-33-21-29)32(27)23(3)4/h22-27H,6-21H2,1-5H3
InChIKeyCXFPIKOMMLXMGL-UHFFFAOYSA-N
MW459.76 g/mol
LogP5.41
Rot. Bonds6

About 1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane

1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane (PubChem CID 170076571) has the molecular formula C29H53N3O and a molecular weight of 459.76 g/mol. Its IUPAC name is 1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane.

Molecular Properties

Compound Name1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane
PubChem CID170076571
Molecular FormulaC29H53N3O
Molecular Weight459.76 g/mol
Exact Mass459.42
IUPAC Name1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane
SMILESCC(C)N1CCCC2(CC(CC(C)N3CCC(C4CCC5(CCOC5)N4C(C)C)CC3)C2)C1
InChIInChI=1S/C29H53N3O/c1-22(2)31-13-6-10-28(20-31)18-25(19-28)17-24(5)30-14-8-26(9-15-30)27-7-11-29(12-16-33-21-29)32(27)23(3)4/h22-27H,6-21H2,1-5H3
InChIKeyCXFPIKOMMLXMGL-UHFFFAOYSA-N
XLogP5.41
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.76
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane?
The IUPAC name of 1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane (CID 170076571) is 1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane.
What is the SMILES notation for 1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane?
The canonical SMILES for 1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane is CC(C)N1CCCC2(CC(CC(C)N3CCC(C4CCC5(CCOC5)N4C(C)C)CC3)C2)C1.
What is the InChIKey of 1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane?
The InChIKey is CXFPIKOMMLXMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H53N3O/c1-22(2)31-13-6-10-28(20-31)18-25(19-28)17-24(5)30-14-8-26(9-15-30)27-7-11-29(12-16-33-21-29)32(27)23(3)4/h22-27H,6-21H2,1-5H3.
What are the key properties of 1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane?
1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane has a molecular weight of 459.76 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-[1-[1-(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)propan-2-yl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane is sourced from PubChem (CID 170076571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).