1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone

C18H26F3N3O3 — CID 110364785

IUPAC1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(C1CCCC1)N1CCN(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H26F3N3O3/c19-18(20,21)17(27)24-7-5-14(6-8-24)16(26)23-11-9-22(10-12-23)15(25)13-3-1-2-4-13/h13-14H,1-12H2
InChIKeyBKJDIHRALZTMSO-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.65
Rot. Bonds2

About 1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 110364785) has the molecular formula C18H26F3N3O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID110364785
Molecular FormulaC18H26F3N3O3
Molecular Weight389.42 g/mol
Exact Mass389.19
IUPAC Name1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(C1CCCC1)N1CCN(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H26F3N3O3/c19-18(20,21)17(27)24-7-5-14(6-8-24)16(26)23-11-9-22(10-12-23)15(25)13-3-1-2-4-13/h13-14H,1-12H2
InChIKeyBKJDIHRALZTMSO-UHFFFAOYSA-N
XLogP1.65
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108932472
2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796472
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
1-[4-(2,6-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110755890
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797693
2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110603052
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
(2S)-1-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 110867508

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone (CID 110364785) is 1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone is O=C(C1CCCC1)N1CCN(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is BKJDIHRALZTMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O3/c19-18(20,21)17(27)24-7-5-14(6-8-24)16(26)23-11-9-22(10-12-23)15(25)13-3-1-2-4-13/h13-14H,1-12H2.
What are the key properties of 1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 389.42 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 110364785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).