2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone

C16H23F3N4O — CID 95760347

IUPAC2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@@H](c2ccn[nH]2)C1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C16H23F3N4O/c17-16(18,19)13-4-2-8-23(10-13)15(24)11-22-7-1-3-12(9-22)14-5-6-20-21-14/h5-6,12-13H,1-4,7-11H2,(H,20,21)/t12-,13+/m1/s1
InChIKeyMLNPMYCMNFQHPW-OLZOCXBDSA-N
MW344.38 g/mol
LogP2.39
Rot. Bonds3

About 2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone

2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 95760347) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID95760347
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@@H](c2ccn[nH]2)C1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C16H23F3N4O/c17-16(18,19)13-4-2-8-23(10-13)15(24)11-22-7-1-3-12(9-22)14-5-6-20-21-14/h5-6,12-13H,1-4,7-11H2,(H,20,21)/t12-,13+/m1/s1
InChIKeyMLNPMYCMNFQHPW-OLZOCXBDSA-N
XLogP2.39
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 95760347) is 2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CN1CCC[C@@H](c2ccn[nH]2)C1)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of 2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is MLNPMYCMNFQHPW-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H23F3N4O/c17-16(18,19)13-4-2-8-23(10-13)15(24)11-22-7-1-3-12(9-22)14-5-6-20-21-14/h5-6,12-13H,1-4,7-11H2,(H,20,21)/t12-,13+/m1/s1.
What are the key properties of 2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 344.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95760347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).