1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide

C19H25F3N4O2 — CID 666170

IUPAC1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C19H25F3N4O2/c20-19(21,22)15-2-1-3-16(12-15)25-10-8-24(9-11-25)13-17(27)26-6-4-14(5-7-26)18(23)28/h1-3,12,14H,4-11,13H2,(H2,23,28)
InChIKeyBMDOOMSLVKQVCL-UHFFFAOYSA-N
MW398.43 g/mol
LogP1.55
Rot. Bonds4

About 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide

1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide (PubChem CID 666170) has the molecular formula C19H25F3N4O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide
PubChem CID666170
Molecular FormulaC19H25F3N4O2
Molecular Weight398.43 g/mol
Exact Mass398.19
IUPAC Name1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C19H25F3N4O2/c20-19(21,22)15-2-1-3-16(12-15)25-10-8-24(9-11-25)13-17(27)26-6-4-14(5-7-26)18(23)28/h1-3,12,14H,4-11,13H2,(H2,23,28)
InChIKeyBMDOOMSLVKQVCL-UHFFFAOYSA-N
XLogP1.55
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide (CID 666170) is 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is BMDOOMSLVKQVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O2/c20-19(21,22)15-2-1-3-16(12-15)25-10-8-24(9-11-25)13-17(27)26-6-4-14(5-7-26)18(23)28/h1-3,12,14H,4-11,13H2,(H2,23,28).
What are the key properties of 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide?
1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 666170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).