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

C20H25N5O5 — CID 56525691

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESCc1noc(C2CCCN(CCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)C2)n1
InChIInChI=1S/C20H25N5O5/c1-13-21-19(30-24-13)14-3-2-7-25(12-14)8-6-18(26)23-20(27)22-15-4-5-16-17(11-15)29-10-9-28-16/h4-5,11,14H,2-3,6-10,12H2,1H3,(H2,22,23,26,27)
InChIKeyGMCGUPNEJQDXGV-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.07
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 56525691) has the molecular formula C20H25N5O5 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
PubChem CID56525691
Molecular FormulaC20H25N5O5
Molecular Weight415.45 g/mol
Exact Mass415.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESCc1noc(C2CCCN(CCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)C2)n1
InChIInChI=1S/C20H25N5O5/c1-13-21-19(30-24-13)14-3-2-7-25(12-14)8-6-18(26)23-20(27)22-15-4-5-16-17(11-15)29-10-9-28-16/h4-5,11,14H,2-3,6-10,12H2,1H3,(H2,22,23,26,27)
InChIKeyGMCGUPNEJQDXGV-UHFFFAOYSA-N
XLogP2.07
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide
CID 56526216
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 60565277
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 704893
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86827343
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
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27151553
3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
CID 33208630
N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526384
N-benzyl-N-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 75462039
1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904109
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide
CID 17428185
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 8000806

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of 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) is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is Cc1noc(C2CCCN(CCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)C2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is GMCGUPNEJQDXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O5/c1-13-21-19(30-24-13)14-3-2-7-25(12-14)8-6-18(26)23-20(27)22-15-4-5-16-17(11-15)29-10-9-28-16/h4-5,11,14H,2-3,6-10,12H2,1H3,(H2,22,23,26,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 415.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 56525691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).