1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one

C13H21F3N2O2 — CID 86792576

IUPAC1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one
SMILESO=C1CN(CC(O)C(F)(F)F)CCN1CC1CCCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)11(19)8-17-5-6-18(12(20)9-17)7-10-3-1-2-4-10/h10-11,19H,1-9H2
InChIKeyAIPGHUVCHJGYIF-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.24
Rot. Bonds4

About 1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one

1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one (PubChem CID 86792576) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one
PubChem CID86792576
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one
SMILESO=C1CN(CC(O)C(F)(F)F)CCN1CC1CCCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)11(19)8-17-5-6-18(12(20)9-17)7-10-3-1-2-4-10/h10-11,19H,1-9H2
InChIKeyAIPGHUVCHJGYIF-UHFFFAOYSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one?
The IUPAC name of 1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one (CID 86792576) is 1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one.
What is the SMILES notation for 1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one?
The canonical SMILES for 1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one is O=C1CN(CC(O)C(F)(F)F)CCN1CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one?
The InChIKey is AIPGHUVCHJGYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)11(19)8-17-5-6-18(12(20)9-17)7-10-3-1-2-4-10/h10-11,19H,1-9H2.
What are the key properties of 1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one?
1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one has a molecular weight of 294.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one is sourced from PubChem (CID 86792576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).