1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide

C16H20F3N3O2 — CID 71915957

IUPAC1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NC(Cc2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)13(10-11-4-2-1-3-5-11)21-15(24)22-8-6-12(7-9-22)14(20)23/h1-5,12-13H,6-10H2,(H2,20,23)(H,21,24)
InChIKeyNGPJILIASGOVEU-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.07
Rot. Bonds4

About 1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide

1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 71915957) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide
PubChem CID71915957
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NC(Cc2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)13(10-11-4-2-1-3-5-11)21-15(24)22-8-6-12(7-9-22)14(20)23/h1-5,12-13H,6-10H2,(H2,20,23)(H,21,24)
InChIKeyNGPJILIASGOVEU-UHFFFAOYSA-N
XLogP2.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide (CID 71915957) is 1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)NC(Cc2ccccc2)C(F)(F)F)CC1.
What is the InChIKey of 1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is NGPJILIASGOVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c17-16(18,19)13(10-11-4-2-1-3-5-11)21-15(24)22-8-6-12(7-9-22)14(20)23/h1-5,12-13H,6-10H2,(H2,20,23)(H,21,24).
What are the key properties of 1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide?
1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 343.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 71915957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).