3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one

C14H21F3N2O3 — CID 111432557

IUPAC3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCN(C(=O)CC2(O)CCCC2)CC1
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)10-12(21)19-7-5-18(6-8-19)11(20)9-13(22)3-1-2-4-13/h22H,1-10H2
InChIKeyNMBRHKMOQZDDQT-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.30
Rot. Bonds3

About 3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one

3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 111432557) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID111432557
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCN(C(=O)CC2(O)CCCC2)CC1
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)10-12(21)19-7-5-18(6-8-19)11(20)9-13(22)3-1-2-4-13/h22H,1-10H2
InChIKeyNMBRHKMOQZDDQT-UHFFFAOYSA-N
XLogP1.30
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one (CID 111432557) is 3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one is O=C(CC(F)(F)F)N1CCN(C(=O)CC2(O)CCCC2)CC1.
What is the InChIKey of 3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is NMBRHKMOQZDDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c15-14(16,17)10-12(21)19-7-5-18(6-8-19)11(20)9-13(22)3-1-2-4-13/h22H,1-10H2.
What are the key properties of 3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 322.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 111432557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).