1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one

C17H27F3N2O2 — CID 97051473

IUPAC1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one
SMILESCC(C)C[C@@H](C(=O)N1CCC(C(F)(F)F)CC1)N1CCCCC1=O
InChIInChI=1S/C17H27F3N2O2/c1-12(2)11-14(22-8-4-3-5-15(22)23)16(24)21-9-6-13(7-10-21)17(18,19)20/h12-14H,3-11H2,1-2H3/t14-/m0/s1
InChIKeyNEXPCKAARYFNHC-AWEZNQCLSA-N
MW348.41 g/mol
LogP3.21
Rot. Bonds4

About 1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one

1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one (PubChem CID 97051473) has the molecular formula C17H27F3N2O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one
PubChem CID97051473
Molecular FormulaC17H27F3N2O2
Molecular Weight348.41 g/mol
Exact Mass348.20
IUPAC Name1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one
SMILESCC(C)C[C@@H](C(=O)N1CCC(C(F)(F)F)CC1)N1CCCCC1=O
InChIInChI=1S/C17H27F3N2O2/c1-12(2)11-14(22-8-4-3-5-15(22)23)16(24)21-9-6-13(7-10-21)17(18,19)20/h12-14H,3-11H2,1-2H3/t14-/m0/s1
InChIKeyNEXPCKAARYFNHC-AWEZNQCLSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one?
The IUPAC name of 1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one (CID 97051473) is 1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one.
What is the SMILES notation for 1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one?
The canonical SMILES for 1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one is CC(C)C[C@@H](C(=O)N1CCC(C(F)(F)F)CC1)N1CCCCC1=O.
What is the InChIKey of 1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one?
The InChIKey is NEXPCKAARYFNHC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27F3N2O2/c1-12(2)11-14(22-8-4-3-5-15(22)23)16(24)21-9-6-13(7-10-21)17(18,19)20/h12-14H,3-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one?
1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one has a molecular weight of 348.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one is sourced from PubChem (CID 97051473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).