(4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone

C20H27F3N4O — CID 11269478

IUPAC(4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C20H27F3N4O/c21-20(22,23)17-5-2-6-18(24-17)26-9-7-15(8-10-26)19(28)27-13-11-25(12-14-27)16-3-1-4-16/h2,5-6,15-16H,1,3-4,7-14H2
InChIKeyRRJSINFOJNXLNR-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.01
Rot. Bonds3

About (4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone

(4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone (PubChem CID 11269478) has the molecular formula C20H27F3N4O and a molecular weight of 396.46 g/mol. Its IUPAC name is (4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
PubChem CID11269478
Molecular FormulaC20H27F3N4O
Molecular Weight396.46 g/mol
Exact Mass396.21
IUPAC Name(4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C20H27F3N4O/c21-20(22,23)17-5-2-6-18(24-17)26-9-7-15(8-10-26)19(28)27-13-11-25(12-14-27)16-3-1-4-16/h2,5-6,15-16H,1,3-4,7-14H2
InChIKeyRRJSINFOJNXLNR-UHFFFAOYSA-N
XLogP3.01
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-1-phenylpiperidine-4-carboxamide
CID 73671061
N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126508789
N-[[4-[4-(3-methoxypropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126509156
N-[[4-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126509225
N-[[4-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126509702
N-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126509802
N-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126509877
N-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126509963
N-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126539128
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126539477
N-[[4-(4-butylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 137371371
N-[[4-[4-(2-methoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 137371411

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone?
The IUPAC name of (4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone (CID 11269478) is (4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone is O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone?
The InChIKey is RRJSINFOJNXLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N4O/c21-20(22,23)17-5-2-6-18(24-17)26-9-7-15(8-10-26)19(28)27-13-11-25(12-14-27)16-3-1-4-16/h2,5-6,15-16H,1,3-4,7-14H2.
What are the key properties of (4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone?
(4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone has a molecular weight of 396.46 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone is sourced from PubChem (CID 11269478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).