4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,4-benzoxazin-3-one

C24H30N4O5 — CID 15983549

IUPAC4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,4-benzoxazin-3-one
SMILESCOc1ccc2c(c1)N(CCN1CCC(NCc3cc4c(cn3)OCCO4)CC1)C(=O)CO2
InChIInChI=1S/C24H30N4O5/c1-30-19-2-3-21-20(13-19)28(24(29)16-33-21)9-8-27-6-4-17(5-7-27)25-14-18-12-22-23(15-26-18)32-11-10-31-22/h2-3,12-13,15,17,25H,4-11,14,16H2,1H3
InChIKeySQZVBNXYWIJRNF-UHFFFAOYSA-N
MW454.53 g/mol
LogP1.84
Rot. Bonds7

About 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,4-benzoxazin-3-one

4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,4-benzoxazin-3-one (PubChem CID 15983549) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 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]-6-methoxy-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]-6-methoxy-1,4-benzoxazin-3-one
PubChem CID15983549
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Name4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,4-benzoxazin-3-one
SMILESCOc1ccc2c(c1)N(CCN1CCC(NCc3cc4c(cn3)OCCO4)CC1)C(=O)CO2
InChIInChI=1S/C24H30N4O5/c1-30-19-2-3-21-20(13-19)28(24(29)16-33-21)9-8-27-6-4-17(5-7-27)25-14-18-12-22-23(15-26-18)32-11-10-31-22/h2-3,12-13,15,17,25H,4-11,14,16H2,1H3
InChIKeySQZVBNXYWIJRNF-UHFFFAOYSA-N
XLogP1.84
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,4-benzoxazin-3-one with MolForge

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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]-6-methoxy-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]-6-methoxy-1,4-benzoxazin-3-one (CID 15983549) is 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-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]-6-methoxy-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]-6-methoxy-1,4-benzoxazin-3-one is COc1ccc2c(c1)N(CCN1CCC(NCc3cc4c(cn3)OCCO4)CC1)C(=O)CO2.
What is the InChIKey of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,4-benzoxazin-3-one?
The InChIKey is SQZVBNXYWIJRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-30-19-2-3-21-20(13-19)28(24(29)16-33-21)9-8-27-6-4-17(5-7-27)25-14-18-12-22-23(15-26-18)32-11-10-31-22/h2-3,12-13,15,17,25H,4-11,14,16H2,1H3.
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]-6-methoxy-1,4-benzoxazin-3-one?
4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,4-benzoxazin-3-one has a molecular weight of 454.53 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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]-6-methoxy-1,4-benzoxazin-3-one is sourced from PubChem (CID 15983549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).