3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide

C18H25F3N2O — CID 3056719

IUPAC3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)NC(=O)CCN1CCCCC1
InChIInChI=1S/C18H25F3N2O/c1-14(12-15-6-5-7-16(13-15)18(19,20)21)22-17(24)8-11-23-9-3-2-4-10-23/h5-7,13-14H,2-4,8-12H2,1H3,(H,22,24)
InChIKeyQBLILIXDAZMDNA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.63
Rot. Bonds6

About 3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide

3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide (PubChem CID 3056719) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide.

Molecular Properties

Compound Name3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide
PubChem CID3056719
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)NC(=O)CCN1CCCCC1
InChIInChI=1S/C18H25F3N2O/c1-14(12-15-6-5-7-16(13-15)18(19,20)21)22-17(24)8-11-23-9-3-2-4-10-23/h5-7,13-14H,2-4,8-12H2,1H3,(H,22,24)
InChIKeyQBLILIXDAZMDNA-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
The IUPAC name of 3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide (CID 3056719) is 3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide.
What is the SMILES notation for 3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
The canonical SMILES for 3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide is CC(Cc1cccc(C(F)(F)F)c1)NC(=O)CCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
The InChIKey is QBLILIXDAZMDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-14(12-15-6-5-7-16(13-15)18(19,20)21)22-17(24)8-11-23-9-3-2-4-10-23/h5-7,13-14H,2-4,8-12H2,1H3,(H,22,24).
What are the key properties of 3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide has a molecular weight of 342.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide is sourced from PubChem (CID 3056719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).