2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane

C22H41N3O — CID 176936324

IUPAC2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane
SMILESCCCN1CCC(OC2CC(N3CCC4(CCN(C(C)C)C4)C3)C2)CC1
InChIInChI=1S/C22H41N3O/c1-4-9-23-10-5-20(6-11-23)26-21-14-19(15-21)25-13-8-22(17-25)7-12-24(16-22)18(2)3/h18-21H,4-17H2,1-3H3
InChIKeyUDOOTDHQJWCVFA-UHFFFAOYSA-N
MW363.59 g/mol
LogP3.21
Rot. Bonds6

About 2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane

2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 176936324) has the molecular formula C22H41N3O and a molecular weight of 363.59 g/mol. Its IUPAC name is 2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane
PubChem CID176936324
Molecular FormulaC22H41N3O
Molecular Weight363.59 g/mol
Exact Mass363.32
IUPAC Name2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane
SMILESCCCN1CCC(OC2CC(N3CCC4(CCN(C(C)C)C4)C3)C2)CC1
InChIInChI=1S/C22H41N3O/c1-4-9-23-10-5-20(6-11-23)26-21-14-19(15-21)25-13-8-22(17-25)7-12-24(16-22)18(2)3/h18-21H,4-17H2,1-3H3
InChIKeyUDOOTDHQJWCVFA-UHFFFAOYSA-N
XLogP3.21
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.59
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane (CID 176936324) is 2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane is CCCN1CCC(OC2CC(N3CCC4(CCN(C(C)C)C4)C3)C2)CC1.
What is the InChIKey of 2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is UDOOTDHQJWCVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O/c1-4-9-23-10-5-20(6-11-23)26-21-14-19(15-21)25-13-8-22(17-25)7-12-24(16-22)18(2)3/h18-21H,4-17H2,1-3H3.
What are the key properties of 2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane?
2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 363.59 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7-[3-(1-propylpiperidin-4-yl)oxycyclobutyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 176936324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).