1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one

C17H27F3N2O3 — CID 86986083

IUPAC1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCC(OCC(F)(F)F)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C17H27F3N2O3/c1-13(25-12-17(18,19)20)16(24)22-10-8-21(9-11-22)15(23)7-6-14-4-2-3-5-14/h13-14H,2-12H2,1H3
InChIKeyBKUINVKNGFDBMW-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.60
Rot. Bonds6

About 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one

1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 86986083) has the molecular formula C17H27F3N2O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID86986083
Molecular FormulaC17H27F3N2O3
Molecular Weight364.41 g/mol
Exact Mass364.20
IUPAC Name1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCC(OCC(F)(F)F)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C17H27F3N2O3/c1-13(25-12-17(18,19)20)16(24)22-10-8-21(9-11-22)15(23)7-6-14-4-2-3-5-14/h13-14H,2-12H2,1H3
InChIKeyBKUINVKNGFDBMW-UHFFFAOYSA-N
XLogP2.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 51943619
(2R)-2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119300407
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
(3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid
CID 124689519
4-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 134020958
1-[4-(3-cyclohexylpropanoyl)-1,4-diazepan-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108546821
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119715775
2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]propanenitrile
CID 63337503
(3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 124689535
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one
CID 119300410
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one (CID 86986083) is 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one is CC(OCC(F)(F)F)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is BKUINVKNGFDBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3N2O3/c1-13(25-12-17(18,19)20)16(24)22-10-8-21(9-11-22)15(23)7-6-14-4-2-3-5-14/h13-14H,2-12H2,1H3.
What are the key properties of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one?
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 364.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 86986083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).