2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

C19H24F3N3O2 — CID 110344240

IUPAC2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)C3CCCN(C(=O)C(F)(F)F)C3)CC2)c1
InChIInChI=1S/C19H24F3N3O2/c1-14-4-2-6-16(12-14)23-8-10-24(11-9-23)17(26)15-5-3-7-25(13-15)18(27)19(20,21)22/h2,4,6,12,15H,3,5,7-11,13H2,1H3
InChIKeyWHKJFDHTWPYTAV-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.44
Rot. Bonds2

About 2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110344240) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID110344240
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)C3CCCN(C(=O)C(F)(F)F)C3)CC2)c1
InChIInChI=1S/C19H24F3N3O2/c1-14-4-2-6-16(12-14)23-8-10-24(11-9-23)17(26)15-5-3-7-25(13-15)18(27)19(20,21)22/h2,4,6,12,15H,3,5,7-11,13H2,1H3
InChIKeyWHKJFDHTWPYTAV-UHFFFAOYSA-N
XLogP2.44
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 110344240) is 2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)C3CCCN(C(=O)C(F)(F)F)C3)CC2)c1.
What is the InChIKey of 2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is WHKJFDHTWPYTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-14-4-2-6-16(12-14)23-8-10-24(11-9-23)17(26)15-5-3-7-25(13-15)18(27)19(20,21)22/h2,4,6,12,15H,3,5,7-11,13H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 383.41 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110344240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).