4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one

C23H28N4O4 — CID 15982018

IUPAC4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
SMILESO=C1COc2ccccc2N1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1
InChIInChI=1S/C23H28N4O4/c28-23-16-31-20-4-2-1-3-19(20)27(23)10-9-26-7-5-17(6-8-26)24-14-18-13-21-22(15-25-18)30-12-11-29-21/h1-4,13,15,17,24H,5-12,14,16H2
InChIKeyFCSFISXQUADFRY-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.83
Rot. Bonds6

About 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one

4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one (PubChem CID 15982018) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
PubChem CID15982018
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
SMILESO=C1COc2ccccc2N1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1
InChIInChI=1S/C23H28N4O4/c28-23-16-31-20-4-2-1-3-19(20)27(23)10-9-26-7-5-17(6-8-26)24-14-18-13-21-22(15-25-18)30-12-11-29-21/h1-4,13,15,17,24H,5-12,14,16H2
InChIKeyFCSFISXQUADFRY-UHFFFAOYSA-N
XLogP1.83
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one (CID 15982018) is 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one is O=C1COc2ccccc2N1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1.
What is the InChIKey of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one?
The InChIKey is FCSFISXQUADFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c28-23-16-31-20-4-2-1-3-19(20)27(23)10-9-26-7-5-17(6-8-26)24-14-18-13-21-22(15-25-18)30-12-11-29-21/h1-4,13,15,17,24H,5-12,14,16H2.
What are the key properties of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one?
4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one has a molecular weight of 424.50 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 15982018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).