2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide

C22H25FN2O3 — CID 23723906

IUPAC2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
SMILESCN(C(=O)Cc1ccc2c(c1)OCO2)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H25FN2O3/c1-24(22(26)12-16-8-9-20-21(11-16)28-15-27-20)18-6-4-10-25(14-18)13-17-5-2-3-7-19(17)23/h2-3,5,7-9,11,18H,4,6,10,12-15H2,1H3
InChIKeyXZGYHADNZTYCRW-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.22
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide

2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide (PubChem CID 23723906) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
PubChem CID23723906
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
SMILESCN(C(=O)Cc1ccc2c(c1)OCO2)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H25FN2O3/c1-24(22(26)12-16-8-9-20-21(11-16)28-15-27-20)18-6-4-10-25(14-18)13-17-5-2-3-7-19(17)23/h2-3,5,7-9,11,18H,4,6,10,12-15H2,1H3
InChIKeyXZGYHADNZTYCRW-UHFFFAOYSA-N
XLogP3.22
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide (CID 23723906) is 2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide is CN(C(=O)Cc1ccc2c(c1)OCO2)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide?
The InChIKey is XZGYHADNZTYCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-24(22(26)12-16-8-9-20-21(11-16)28-15-27-20)18-6-4-10-25(14-18)13-17-5-2-3-7-19(17)23/h2-3,5,7-9,11,18H,4,6,10,12-15H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide?
2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide has a molecular weight of 384.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 23723906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).