N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide

C16H27F3N2O — CID 164638767

IUPACN-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NCC[C@H]1CCCCN1C1CCCC1
InChIInChI=1S/C16H27F3N2O/c17-16(18,19)10-8-15(22)20-11-9-14-7-3-4-12-21(14)13-5-1-2-6-13/h13-14H,1-12H2,(H,20,22)/t14-/m1/s1
InChIKeyQWBLUFVYLQHTPZ-CQSZACIVSA-N
MW320.40 g/mol
LogP3.63
Rot. Bonds6

About N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide

N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide (PubChem CID 164638767) has the molecular formula C16H27F3N2O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide
PubChem CID164638767
Molecular FormulaC16H27F3N2O
Molecular Weight320.40 g/mol
Exact Mass320.21
IUPAC NameN-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NCC[C@H]1CCCCN1C1CCCC1
InChIInChI=1S/C16H27F3N2O/c17-16(18,19)10-8-15(22)20-11-9-14-7-3-4-12-21(14)13-5-1-2-6-13/h13-14H,1-12H2,(H,20,22)/t14-/m1/s1
InChIKeyQWBLUFVYLQHTPZ-CQSZACIVSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide (CID 164638767) is N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)NCC[C@H]1CCCCN1C1CCCC1.
What is the InChIKey of N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide?
The InChIKey is QWBLUFVYLQHTPZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27F3N2O/c17-16(18,19)10-8-15(22)20-11-9-14-7-3-4-12-21(14)13-5-1-2-6-13/h13-14H,1-12H2,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide?
N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide has a molecular weight of 320.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 164638767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).