1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one

C26H33N3O3 — CID 10503029

IUPAC1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one
SMILESO=C1N(CCC2CCN(CC3COc4ccccc4O3)CC2)CCCN1c1ccccc1
InChIInChI=1S/C26H33N3O3/c30-26-28(14-6-15-29(26)22-7-2-1-3-8-22)18-13-21-11-16-27(17-12-21)19-23-20-31-24-9-4-5-10-25(24)32-23/h1-5,7-10,21,23H,6,11-20H2
InChIKeyFFXZAVMSBRRUNZ-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.26
Rot. Bonds6

About 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one

1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one (PubChem CID 10503029) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one
PubChem CID10503029
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one
SMILESO=C1N(CCC2CCN(CC3COc4ccccc4O3)CC2)CCCN1c1ccccc1
InChIInChI=1S/C26H33N3O3/c30-26-28(14-6-15-29(26)22-7-2-1-3-8-22)18-13-21-11-16-27(17-12-21)19-23-20-31-24-9-4-5-10-25(24)32-23/h1-5,7-10,21,23H,6,11-20H2
InChIKeyFFXZAVMSBRRUNZ-UHFFFAOYSA-N
XLogP4.26
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-yl]-ethyl}-3-(4-methoxy-phenyl)-urea
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1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-yl]-ethyl}-3-(4-hydroxy-phenyl)-urea
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CID 9888447
(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-(1-phenyl-piperidin-4-ylmethyl)-amine
CID 10664759
(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(4-methoxy-phenyl)-piperidin-4-ylmethyl]-amine
CID 10690393
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-[1-(2-methoxyphenyl)piperidin-4-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one?
The IUPAC name of 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one (CID 10503029) is 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one is O=C1N(CCC2CCN(CC3COc4ccccc4O3)CC2)CCCN1c1ccccc1.
What is the InChIKey of 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one?
The InChIKey is FFXZAVMSBRRUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c30-26-28(14-6-15-29(26)22-7-2-1-3-8-22)18-13-21-11-16-27(17-12-21)19-23-20-31-24-9-4-5-10-25(24)32-23/h1-5,7-10,21,23H,6,11-20H2.
What are the key properties of 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one?
1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one has a molecular weight of 435.57 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-phenyl-1,3-diazinan-2-one is sourced from PubChem (CID 10503029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).