N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide

C20H26N4O4 — CID 72857283

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide
SMILESCc1noc(CN2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)n1
InChIInChI=1S/C20H26N4O4/c1-14-21-20(28-23-14)13-24-8-6-15(7-9-24)2-5-19(25)22-16-3-4-17-18(12-16)27-11-10-26-17/h3-4,12,15H,2,5-11,13H2,1H3,(H,22,25)
InChIKeyJTHLCXLIIRYYRU-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.78
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 72857283) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide
PubChem CID72857283
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide
SMILESCc1noc(CN2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)n1
InChIInChI=1S/C20H26N4O4/c1-14-21-20(28-23-14)13-24-8-6-15(7-9-24)2-5-19(25)22-16-3-4-17-18(12-16)27-11-10-26-17/h3-4,12,15H,2,5-11,13H2,1H3,(H,22,25)
InChIKeyJTHLCXLIIRYYRU-UHFFFAOYSA-N
XLogP2.78
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 42516837
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-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
CID 25447624
3-[(3R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97281937
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38137704
3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 42195060
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930423
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969590
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide
CID 45238770
N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide
CID 42209722
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide
CID 56526216

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide (CID 72857283) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide is Cc1noc(CN2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is JTHLCXLIIRYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-14-21-20(28-23-14)13-24-8-6-15(7-9-24)2-5-19(25)22-16-3-4-17-18(12-16)27-11-10-26-17/h3-4,12,15H,2,5-11,13H2,1H3,(H,22,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 386.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 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-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 72857283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).