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

C27H49N3O — CID 131989667

IUPAC1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)methyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane
SMILESCC(C)N1CCCC2(CC(CN3CCC(C4CCC5(CCOC5)N4C(C)C)CC3)C2)C1
InChIInChI=1S/C27H49N3O/c1-21(2)29-12-5-9-26(19-29)16-23(17-26)18-28-13-7-24(8-14-28)25-6-10-27(11-15-31-20-27)30(25)22(3)4/h21-25H,5-20H2,1-4H3
InChIKeyOLWKXFIGJGJLMW-UHFFFAOYSA-N
MW431.71 g/mol
LogP4.63
Rot. Bonds5

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

1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)methyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane (PubChem CID 131989667) has the molecular formula C27H49N3O and a molecular weight of 431.71 g/mol. Its IUPAC name is 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)methyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane.

Molecular Properties

Compound Name1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)methyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane
PubChem CID131989667
Molecular FormulaC27H49N3O
Molecular Weight431.71 g/mol
Exact Mass431.39
IUPAC Name1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)methyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane
SMILESCC(C)N1CCCC2(CC(CN3CCC(C4CCC5(CCOC5)N4C(C)C)CC3)C2)C1
InChIInChI=1S/C27H49N3O/c1-21(2)29-12-5-9-26(19-29)16-23(17-26)18-28-13-7-24(8-14-28)25-6-10-27(11-15-31-20-27)30(25)22(3)4/h21-25H,5-20H2,1-4H3
InChIKeyOLWKXFIGJGJLMW-UHFFFAOYSA-N
XLogP4.63
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.71
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)methyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane?
The IUPAC name of 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)methyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane (CID 131989667) is 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)methyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane.
What is the SMILES notation for 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)methyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane?
The canonical SMILES for 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)methyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane is CC(C)N1CCCC2(CC(CN3CCC(C4CCC5(CCOC5)N4C(C)C)CC3)C2)C1.
What is the InChIKey of 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)methyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane?
The InChIKey is OLWKXFIGJGJLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49N3O/c1-21(2)29-12-5-9-26(19-29)16-23(17-26)18-28-13-7-24(8-14-28)25-6-10-27(11-15-31-20-27)30(25)22(3)4/h21-25H,5-20H2,1-4H3.
What are the key properties of 1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)methyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane?
1-propan-2-yl-2-[1-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)methyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane has a molecular weight of 431.71 g/mol, XLogP of 4.63, 5 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-[(6-propan-2-yl-6-azaspiro[3.5]nonan-2-yl)methyl]piperidin-4-yl]-7-oxa-1-azaspiro[4.4]nonane is sourced from PubChem (CID 131989667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).