2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide

C17H25ClN2O2 — CID 16895415

IUPAC2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
SMILESCC(C)N1CCC(CNC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-13(2)20-9-7-14(8-10-20)11-19-17(21)12-22-16-5-3-15(18)4-6-16/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)
InChIKeyBVJKCIHJVOQMJI-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.96
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide

2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 16895415) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
PubChem CID16895415
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
SMILESCC(C)N1CCC(CNC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-13(2)20-9-7-14(8-10-20)11-19-17(21)12-22-16-5-3-15(18)4-6-16/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)
InChIKeyBVJKCIHJVOQMJI-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide (CID 16895415) is 2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide is CC(C)N1CCC(CNC(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is BVJKCIHJVOQMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-13(2)20-9-7-14(8-10-20)11-19-17(21)12-22-16-5-3-15(18)4-6-16/h3-6,13-14H,7-12H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide?
2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 324.85 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 16895415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).