(4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C24H30N2O4 — CID 164636467

IUPAC(4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)C[C@@H](CCOc2cccnc2)CCO3)cc1
InChIInChI=1S/C24H30N2O4/c1-28-21-6-4-20(5-7-21)23(27)26-13-10-24(11-14-26)17-19(9-16-30-24)8-15-29-22-3-2-12-25-18-22/h2-7,12,18-19H,8-11,13-17H2,1H3/t19-/m0/s1
InChIKeyDWYZONLQVDWXFD-IBGZPJMESA-N
MW410.51 g/mol
LogP3.96
Rot. Bonds6

About (4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

(4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 164636467) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID164636467
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)C[C@@H](CCOc2cccnc2)CCO3)cc1
InChIInChI=1S/C24H30N2O4/c1-28-21-6-4-20(5-7-21)23(27)26-13-10-24(11-14-26)17-19(9-16-30-24)8-15-29-22-3-2-12-25-18-22/h2-7,12,18-19H,8-11,13-17H2,1H3/t19-/m0/s1
InChIKeyDWYZONLQVDWXFD-IBGZPJMESA-N
XLogP3.96
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 164636467) is (4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](CCOc2cccnc2)CCO3)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is DWYZONLQVDWXFD-IBGZPJMESA-N. The full InChI is InChI=1S/C24H30N2O4/c1-28-21-6-4-20(5-7-21)23(27)26-13-10-24(11-14-26)17-19(9-16-30-24)8-15-29-22-3-2-12-25-18-22/h2-7,12,18-19H,8-11,13-17H2,1H3/t19-/m0/s1.
What are the key properties of (4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
(4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 410.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(4R)-4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 164636467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).