1-(4-cyclopentylpiperazin-1-yl)-2-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone

C22H32F3N5O — CID 57442645

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC1CN(c2ccc(C(F)(F)F)cn2)CCN1CC(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H32F3N5O/c1-17-15-30(20-7-6-18(14-26-20)22(23,24)25)13-12-29(17)16-21(31)28-10-8-27(9-11-28)19-4-2-3-5-19/h6-7,14,17,19H,2-5,8-13,15-16H2,1H3
InChIKeyHEDFHJMDGDYSIP-UHFFFAOYSA-N
MW439.53 g/mol
LogP2.70
Rot. Bonds4

About 1-(4-cyclopentylpiperazin-1-yl)-2-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone

1-(4-cyclopentylpiperazin-1-yl)-2-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 57442645) has the molecular formula C22H32F3N5O and a molecular weight of 439.53 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID57442645
Molecular FormulaC22H32F3N5O
Molecular Weight439.53 g/mol
Exact Mass439.26
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC1CN(c2ccc(C(F)(F)F)cn2)CCN1CC(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H32F3N5O/c1-17-15-30(20-7-6-18(14-26-20)22(23,24)25)13-12-29(17)16-21(31)28-10-8-27(9-11-28)19-4-2-3-5-19/h6-7,14,17,19H,2-5,8-13,15-16H2,1H3
InChIKeyHEDFHJMDGDYSIP-UHFFFAOYSA-N
XLogP2.70
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 52.70
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-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone (CID 57442645) is 1-(4-cyclopentylpiperazin-1-yl)-2-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone is CC1CN(c2ccc(C(F)(F)F)cn2)CCN1CC(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is HEDFHJMDGDYSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F3N5O/c1-17-15-30(20-7-6-18(14-26-20)22(23,24)25)13-12-29(17)16-21(31)28-10-8-27(9-11-28)19-4-2-3-5-19/h6-7,14,17,19H,2-5,8-13,15-16H2,1H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 439.53 g/mol, XLogP of 2.70, 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-[2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 57442645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).