2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide

C21H25N3O3 — CID 56706649

IUPAC2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNC1CCN(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C21H25N3O3/c1-15-4-2-3-5-18(15)23-21(25)13-22-16-8-10-24(11-9-16)17-6-7-19-20(12-17)27-14-26-19/h2-7,12,16,22H,8-11,13-14H2,1H3,(H,23,25)
InChIKeyLPEPEJDYGUXWFC-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.92
Rot. Bonds5

About 2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide

2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide (PubChem CID 56706649) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide
PubChem CID56706649
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNC1CCN(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C21H25N3O3/c1-15-4-2-3-5-18(15)23-21(25)13-22-16-8-10-24(11-9-16)17-6-7-19-20(12-17)27-14-26-19/h2-7,12,16,22H,8-11,13-14H2,1H3,(H,23,25)
InChIKeyLPEPEJDYGUXWFC-UHFFFAOYSA-N
XLogP2.92
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-benzodioxol-5-yl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 113111952
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109007147
1-(1,3-benzodioxol-5-yl)piperidine-4-carboxylic acid
CID 59023367
3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide
CID 131927225
N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
CID 9265362
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 42157747
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 25163517
1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)propyl]piperidin-4-amine
CID 166397220
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 51172225
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide
CID 8965313
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide (CID 56706649) is 2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CNC1CCN(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide?
The InChIKey is LPEPEJDYGUXWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-4-2-3-5-18(15)23-21(25)13-22-16-8-10-24(11-9-16)17-6-7-19-20(12-17)27-14-26-19/h2-7,12,16,22H,8-11,13-14H2,1H3,(H,23,25).
What are the key properties of 2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide?
2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 56706649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).