2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide

C21H25F3N4O — CID 56665469

IUPAC2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1
InChIInChI=1S/C21H25F3N4O/c1-14(2)20(29)27-17-7-11-28(12-8-17)19(18-13-25-9-10-26-18)15-3-5-16(6-4-15)21(22,23)24/h3-6,9-10,13-14,17,19H,7-8,11-12H2,1-2H3,(H,27,29)
InChIKeyRSMMDEAKBXDVSH-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.82
Rot. Bonds5

About 2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide

2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (PubChem CID 56665469) has the molecular formula C21H25F3N4O and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
PubChem CID56665469
Molecular FormulaC21H25F3N4O
Molecular Weight406.45 g/mol
Exact Mass406.20
IUPAC Name2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1
InChIInChI=1S/C21H25F3N4O/c1-14(2)20(29)27-17-7-11-28(12-8-17)19(18-13-25-9-10-26-18)15-3-5-16(6-4-15)21(22,23)24/h3-6,9-10,13-14,17,19H,7-8,11-12H2,1-2H3,(H,27,29)
InChIKeyRSMMDEAKBXDVSH-UHFFFAOYSA-N
XLogP3.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (CID 56665469) is 2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is CC(C)C(=O)NC1CCN(C(c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1.
What is the InChIKey of 2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The InChIKey is RSMMDEAKBXDVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O/c1-14(2)20(29)27-17-7-11-28(12-8-17)19(18-13-25-9-10-26-18)15-3-5-16(6-4-15)21(22,23)24/h3-6,9-10,13-14,17,19H,7-8,11-12H2,1-2H3,(H,27,29).
What are the key properties of 2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide has a molecular weight of 406.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 56665469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).