2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide

C22H27F3N4O — CID 142791863

IUPAC2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)C(Cc1ccncc1)(NCCC1CCNCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H27F3N4O/c23-22(24,25)19-3-1-2-18(14-19)21(20(26)30,15-17-6-11-28-12-7-17)29-13-8-16-4-9-27-10-5-16/h1-3,6-7,11-12,14,16,27,29H,4-5,8-10,13,15H2,(H2,26,30)
InChIKeyBGTGJMXTUOERPO-UHFFFAOYSA-N
MW420.48 g/mol
LogP3.00
Rot. Bonds8

About 2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide

2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 142791863) has the molecular formula C22H27F3N4O and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID142791863
Molecular FormulaC22H27F3N4O
Molecular Weight420.48 g/mol
Exact Mass420.21
IUPAC Name2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)C(Cc1ccncc1)(NCCC1CCNCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H27F3N4O/c23-22(24,25)19-3-1-2-18(14-19)21(20(26)30,15-17-6-11-28-12-7-17)29-13-8-16-4-9-27-10-5-16/h1-3,6-7,11-12,14,16,27,29H,4-5,8-10,13,15H2,(H2,26,30)
InChIKeyBGTGJMXTUOERPO-UHFFFAOYSA-N
XLogP3.00
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide (CID 142791863) is 2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide is NC(=O)C(Cc1ccncc1)(NCCC1CCNCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BGTGJMXTUOERPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O/c23-22(24,25)19-3-1-2-18(14-19)21(20(26)30,15-17-6-11-28-12-7-17)29-13-8-16-4-9-27-10-5-16/h1-3,6-7,11-12,14,16,27,29H,4-5,8-10,13,15H2,(H2,26,30).
What are the key properties of 2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide?
2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 420.48 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 142791863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).