1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone

C21H30F3N5O — CID 57442493

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H30F3N5O/c22-21(23,24)17-5-6-25-19(15-17)28-9-7-26(8-10-28)16-20(30)29-13-11-27(12-14-29)18-3-1-2-4-18/h5-6,15,18H,1-4,7-14,16H2
InChIKeyOPAYQMPCUZFCGC-UHFFFAOYSA-N
MW425.50 g/mol
LogP2.31
Rot. Bonds4

About 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone

1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 57442493) has the molecular formula C21H30F3N5O and a molecular weight of 425.50 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID57442493
Molecular FormulaC21H30F3N5O
Molecular Weight425.50 g/mol
Exact Mass425.24
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H30F3N5O/c22-21(23,24)17-5-6-25-19(15-17)28-9-7-26(8-10-28)16-20(30)29-13-11-27(12-14-29)18-3-1-2-4-18/h5-6,15,18H,1-4,7-14,16H2
InChIKeyOPAYQMPCUZFCGC-UHFFFAOYSA-N
XLogP2.31
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone (CID 57442493) is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone is O=C(CN1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is OPAYQMPCUZFCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N5O/c22-21(23,24)17-5-6-25-19(15-17)28-9-7-26(8-10-28)16-20(30)29-13-11-27(12-14-29)18-3-1-2-4-18/h5-6,15,18H,1-4,7-14,16H2.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 425.50 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 57442493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).