N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide

C21H21F3N4O — CID 58873385

IUPACN-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1
InChIInChI=1S/C21H21F3N4O/c1-2-19(29)28(16-6-4-3-5-7-16)17-10-12-27(13-11-17)20-15(14-25)8-9-18(26-20)21(22,23)24/h3-9,17H,2,10-13H2,1H3
InChIKeyRWXJEPNOFHNHJB-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.38
Rot. Bonds4

About N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide

N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 58873385) has the molecular formula C21H21F3N4O and a molecular weight of 402.42 g/mol. Its IUPAC name is N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID58873385
Molecular FormulaC21H21F3N4O
Molecular Weight402.42 g/mol
Exact Mass402.17
IUPAC NameN-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1
InChIInChI=1S/C21H21F3N4O/c1-2-19(29)28(16-6-4-3-5-7-16)17-10-12-27(13-11-17)20-15(14-25)8-9-18(26-20)21(22,23)24/h3-9,17H,2,10-13H2,1H3
InChIKeyRWXJEPNOFHNHJB-UHFFFAOYSA-N
XLogP4.38
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide (CID 58873385) is N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1.
What is the InChIKey of N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is RWXJEPNOFHNHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O/c1-2-19(29)28(16-6-4-3-5-7-16)17-10-12-27(13-11-17)20-15(14-25)8-9-18(26-20)21(22,23)24/h3-9,17H,2,10-13H2,1H3.
What are the key properties of N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide?
N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 402.42 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 58873385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).