2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

C17H25ClFN3O2 — CID 78808378

IUPAC2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H25ClFN3O2/c1-13(12-24-2)20-17(23)11-22-8-6-21(7-9-22)10-14-15(18)4-3-5-16(14)19/h3-5,13H,6-12H2,1-2H3,(H,20,23)
InChIKeyVPPTXWOPDZDOBZ-UHFFFAOYSA-N
MW357.86 g/mol
LogP1.75
Rot. Bonds7

About 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 78808378) has the molecular formula C17H25ClFN3O2 and a molecular weight of 357.86 g/mol. Its IUPAC name is 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID78808378
Molecular FormulaC17H25ClFN3O2
Molecular Weight357.86 g/mol
Exact Mass357.16
IUPAC Name2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H25ClFN3O2/c1-13(12-24-2)20-17(23)11-22-8-6-21(7-9-22)10-14-15(18)4-3-5-16(14)19/h3-5,13H,6-12H2,1-2H3,(H,20,23)
InChIKeyVPPTXWOPDZDOBZ-UHFFFAOYSA-N
XLogP1.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 3437888
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide
CID 78792829
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 3701376
2-(4-benzoylpiperidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 134049466
1-[(2-chloro-6-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776174
N-(1-methoxypropan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 51199549
2-[[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111361076
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 61488098
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7316831
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 17499286

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide (CID 78808378) is 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CN1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is VPPTXWOPDZDOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN3O2/c1-13(12-24-2)20-17(23)11-22-8-6-21(7-9-22)10-14-15(18)4-3-5-16(14)19/h3-5,13H,6-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 357.86 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 78808378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).