2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C18H23ClF3N3O — CID 120757230

IUPAC2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCNCC1c1ccccc1Cl)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H23ClF3N3O/c19-15-6-2-1-5-14(15)16-10-23-7-9-24(16)12-17(26)25-8-3-4-13(11-25)18(20,21)22/h1-2,5-6,13,16,23H,3-4,7-12H2
InChIKeyYQIKSEFGZVUDNP-UHFFFAOYSA-N
MW389.85 g/mol
LogP3.09
Rot. Bonds3

About 2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 120757230) has the molecular formula C18H23ClF3N3O and a molecular weight of 389.85 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID120757230
Molecular FormulaC18H23ClF3N3O
Molecular Weight389.85 g/mol
Exact Mass389.15
IUPAC Name2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCNCC1c1ccccc1Cl)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H23ClF3N3O/c19-15-6-2-1-5-14(15)16-10-23-7-9-24(16)12-17(26)25-8-3-4-13(11-25)18(20,21)22/h1-2,5-6,13,16,23H,3-4,7-12H2
InChIKeyYQIKSEFGZVUDNP-UHFFFAOYSA-N
XLogP3.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120757324
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 120757638
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 120870990
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87012618
1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120770801
1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120739124
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 120757474
2-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120757480
N-[1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 120753617
N-benzyl-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757524
1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
CID 120739391
1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120757919

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 120757230) is 2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CN1CCNCC1c1ccccc1Cl)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is YQIKSEFGZVUDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClF3N3O/c19-15-6-2-1-5-14(15)16-10-23-7-9-24(16)12-17(26)25-8-3-4-13(11-25)18(20,21)22/h1-2,5-6,13,16,23H,3-4,7-12H2.
What are the key properties of 2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 389.85 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 120757230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).