N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide

C20H22F3N3O — CID 90349844

IUPACN-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C20H22F3N3O/c1-2-18(27)26(15-7-4-3-5-8-15)16-10-13-25(14-11-16)19-17(20(21,22)23)9-6-12-24-19/h3-9,12,16H,2,10-11,13-14H2,1H3
InChIKeyWTAKRSGRINEDHG-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.51
Rot. Bonds4

About N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide

N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide (PubChem CID 90349844) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
PubChem CID90349844
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC NameN-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C20H22F3N3O/c1-2-18(27)26(15-7-4-3-5-8-15)16-10-13-25(14-11-16)19-17(20(21,22)23)9-6-12-24-19/h3-9,12,16H,2,10-11,13-14H2,1H3
InChIKeyWTAKRSGRINEDHG-UHFFFAOYSA-N
XLogP4.51
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?
The IUPAC name of N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide (CID 90349844) is N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1)C1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?
The InChIKey is WTAKRSGRINEDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-2-18(27)26(15-7-4-3-5-8-15)16-10-13-25(14-11-16)19-17(20(21,22)23)9-6-12-24-19/h3-9,12,16H,2,10-11,13-14H2,1H3.
What are the key properties of N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?
N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide has a molecular weight of 377.41 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 90349844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).