N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide

C21H22N2O5 — CID 55747231

IUPACN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(NCCOc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C21H22N2O5/c24-20-3-1-2-11-23(20)16-6-4-15(5-7-16)21(25)22-10-12-26-17-8-9-18-19(13-17)28-14-27-18/h4-9,13H,1-3,10-12,14H2,(H,22,25)
InChIKeyDDLVYWQVHBWADH-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.74
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 55747231) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID55747231
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(NCCOc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C21H22N2O5/c24-20-3-1-2-11-23(20)16-6-4-15(5-7-16)21(25)22-10-12-26-17-8-9-18-19(13-17)28-14-27-18/h4-9,13H,1-3,10-12,14H2,(H,22,25)
InChIKeyDDLVYWQVHBWADH-UHFFFAOYSA-N
XLogP2.74
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18093380
4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
CID 32934030
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113101460
N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32644603
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110312238
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18116240
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55785896
N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490586
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416590
4-(4-acetylphenyl)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperazine-1-carboxamide
CID 55809276
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 30350371

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide (CID 55747231) is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide is O=C(NCCOc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is DDLVYWQVHBWADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c24-20-3-1-2-11-23(20)16-6-4-15(5-7-16)21(25)22-10-12-26-17-8-9-18-19(13-17)28-14-27-18/h4-9,13H,1-3,10-12,14H2,(H,22,25).
What are the key properties of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 382.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 55747231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).