N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide

C23H34N4O5 — CID 56526216

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(CCN2CCOCC2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C23H34N4O5/c28-22(25-23(29)24-19-1-2-20-21(17-19)32-16-15-31-20)6-10-26-7-3-18(4-8-26)5-9-27-11-13-30-14-12-27/h1-2,17-18H,3-16H2,(H2,24,25,28,29)
InChIKeyXGBVTYSHKYAOKF-UHFFFAOYSA-N
MW446.55 g/mol
LogP1.93
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide (PubChem CID 56526216) has the molecular formula C23H34N4O5 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide
PubChem CID56526216
Molecular FormulaC23H34N4O5
Molecular Weight446.55 g/mol
Exact Mass446.25
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(CCN2CCOCC2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C23H34N4O5/c28-22(25-23(29)24-19-1-2-20-21(17-19)32-16-15-31-20)6-10-26-7-3-18(4-8-26)5-9-27-11-13-30-14-12-27/h1-2,17-18H,3-16H2,(H2,24,25,28,29)
InChIKeyXGBVTYSHKYAOKF-UHFFFAOYSA-N
XLogP1.93
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 4824495
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110863362
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
CID 56525691
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 704893
N-(2,6-dichlorophenyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide
CID 56526318
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 42516837
3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
CID 33208630
3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 56526295
1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904109
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969590
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24560890
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30957498

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide (CID 56526216) is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide is O=C(CCN1CCC(CCN2CCOCC2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide?
The InChIKey is XGBVTYSHKYAOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O5/c28-22(25-23(29)24-19-1-2-20-21(17-19)32-16-15-31-20)6-10-26-7-3-18(4-8-26)5-9-27-11-13-30-14-12-27/h1-2,17-18H,3-16H2,(H2,24,25,28,29).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide has a molecular weight of 446.55 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 56526216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).