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

C20H23F3N4O — CID 56661985

IUPACN-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1
InChIInChI=1S/C20H23F3N4O/c1-2-18(28)26-16-7-11-27(12-8-16)19(17-13-24-9-10-25-17)14-3-5-15(6-4-14)20(21,22)23/h3-6,9-10,13,16,19H,2,7-8,11-12H2,1H3,(H,26,28)
InChIKeyYJEHPTKSEHMAKX-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.58
Rot. Bonds5

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

N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (PubChem CID 56661985) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
PubChem CID56661985
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC NameN-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1
InChIInChI=1S/C20H23F3N4O/c1-2-18(28)26-16-7-11-27(12-8-16)19(17-13-24-9-10-25-17)14-3-5-15(6-4-14)20(21,22)23/h3-6,9-10,13,16,19H,2,7-8,11-12H2,1H3,(H,26,28)
InChIKeyYJEHPTKSEHMAKX-UHFFFAOYSA-N
XLogP3.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 56665469
1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 56669299
cyclopropyl-[4-[[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone;hydrochloride
CID 56672798
3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 56669294
N-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide
CID 71200155
(3S)-N-[(1R)-1-pyrazin-2-ylethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 97232131
N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide
CID 155344343
1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 56676016
N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126795988
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99700655
N-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide
CID 167767988
N-(4-ethylcyclohexyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 112817234

Frequently Asked Questions

What is the IUPAC name of N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (CID 56661985) is N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C(c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1.
What is the InChIKey of N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The InChIKey is YJEHPTKSEHMAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-2-18(28)26-16-7-11-27(12-8-16)19(17-13-24-9-10-25-17)14-3-5-15(6-4-14)20(21,22)23/h3-6,9-10,13,16,19H,2,7-8,11-12H2,1H3,(H,26,28).
What are the key properties of N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide has a molecular weight of 392.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 56661985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).