2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane

C24H31N3O2 — CID 135301687

IUPAC2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane
SMILESCc1cc(N2CCC3(CCN(C(C)c4ccc5c(c4)OCCO5)C3)C2)cc(C)n1
InChIInChI=1S/C24H31N3O2/c1-17-12-21(13-18(2)25-17)27-9-7-24(16-27)6-8-26(15-24)19(3)20-4-5-22-23(14-20)29-11-10-28-22/h4-5,12-14,19H,6-11,15-16H2,1-3H3
InChIKeyNYDMOOQKCUYFHM-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.13
Rot. Bonds3

About 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane

2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 135301687) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane
PubChem CID135301687
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane
SMILESCc1cc(N2CCC3(CCN(C(C)c4ccc5c(c4)OCCO5)C3)C2)cc(C)n1
InChIInChI=1S/C24H31N3O2/c1-17-12-21(13-18(2)25-17)27-9-7-24(16-27)6-8-26(15-24)19(3)20-4-5-22-23(14-20)29-11-10-28-22/h4-5,12-14,19H,6-11,15-16H2,1-3H3
InChIKeyNYDMOOQKCUYFHM-UHFFFAOYSA-N
XLogP4.13
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane (CID 135301687) is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane is Cc1cc(N2CCC3(CCN(C(C)c4ccc5c(c4)OCCO5)C3)C2)cc(C)n1.
What is the InChIKey of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is NYDMOOQKCUYFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17-12-21(13-18(2)25-17)27-9-7-24(16-27)6-8-26(15-24)19(3)20-4-5-22-23(14-20)29-11-10-28-22/h4-5,12-14,19H,6-11,15-16H2,1-3H3.
What are the key properties of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane?
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 393.53 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 135301687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).