N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide

C15H16Cl2N2O4 — CID 108566835

IUPACN-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide
SMILESO=C(NC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)C(Cl)Cl
InChIInChI=1S/C15H16Cl2N2O4/c16-13(17)14(20)18-10-3-5-19(6-4-10)15(21)9-1-2-11-12(7-9)23-8-22-11/h1-2,7,10,13H,3-6,8H2,(H,18,20)
InChIKeyZOKRDWUFHYAJJW-UHFFFAOYSA-N
MW359.21 g/mol
LogP1.94
Rot. Bonds3

About N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide

N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide (PubChem CID 108566835) has the molecular formula C15H16Cl2N2O4 and a molecular weight of 359.21 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide
PubChem CID108566835
Molecular FormulaC15H16Cl2N2O4
Molecular Weight359.21 g/mol
Exact Mass358.05
IUPAC NameN-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide
SMILESO=C(NC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)C(Cl)Cl
InChIInChI=1S/C15H16Cl2N2O4/c16-13(17)14(20)18-10-3-5-19(6-4-10)15(21)9-1-2-11-12(7-9)23-8-22-11/h1-2,7,10,13H,3-6,8H2,(H,18,20)
InChIKeyZOKRDWUFHYAJJW-UHFFFAOYSA-N
XLogP1.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-ethylbutanamide
CID 110821563
methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
CID 110821565
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 110821561
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557334
1,3-benzodioxol-5-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465868
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557309
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-ethoxybenzamide
CID 108551927
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557429
2-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083315
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557265
2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108566898

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide?
The IUPAC name of N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide (CID 108566835) is N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide.
What is the SMILES notation for N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide?
The canonical SMILES for N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide is O=C(NC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)C(Cl)Cl.
What is the InChIKey of N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide?
The InChIKey is ZOKRDWUFHYAJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4/c16-13(17)14(20)18-10-3-5-19(6-4-10)15(21)9-1-2-11-12(7-9)23-8-22-11/h1-2,7,10,13H,3-6,8H2,(H,18,20).
What are the key properties of N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide?
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide has a molecular weight of 359.21 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide is sourced from PubChem (CID 108566835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).