N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide

C24H29N3O4 — CID 10764754

IUPACN-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide
SMILESO=C(NCCC1CCN(CC2COc3ccccc3O2)CC1)NC(=O)c1ccccc1
InChIInChI=1S/C24H29N3O4/c28-23(19-6-2-1-3-7-19)26-24(29)25-13-10-18-11-14-27(15-12-18)16-20-17-30-21-8-4-5-9-22(21)31-20/h1-9,18,20H,10-17H2,(H2,25,26,28,29)
InChIKeyJHLLCDAGMAZZJO-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.07
Rot. Bonds6

About N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide

N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide (PubChem CID 10764754) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide
PubChem CID10764754
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide
SMILESO=C(NCCC1CCN(CC2COc3ccccc3O2)CC1)NC(=O)c1ccccc1
InChIInChI=1S/C24H29N3O4/c28-23(19-6-2-1-3-7-19)26-24(29)25-13-10-18-11-14-27(15-12-18)16-20-17-30-21-8-4-5-9-22(21)31-20/h1-9,18,20H,10-17H2,(H2,25,26,28,29)
InChIKeyJHLLCDAGMAZZJO-UHFFFAOYSA-N
XLogP3.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide?
The IUPAC name of N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide (CID 10764754) is N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide.
What is the SMILES notation for N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide?
The canonical SMILES for N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide is O=C(NCCC1CCN(CC2COc3ccccc3O2)CC1)NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide?
The InChIKey is JHLLCDAGMAZZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c28-23(19-6-2-1-3-7-19)26-24(29)25-13-10-18-11-14-27(15-12-18)16-20-17-30-21-8-4-5-9-22(21)31-20/h1-9,18,20H,10-17H2,(H2,25,26,28,29).
What are the key properties of N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide?
N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide has a molecular weight of 423.51 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylcarbamoyl]benzamide is sourced from PubChem (CID 10764754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).