(6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C17H22F3N3O2 — CID 163346738

IUPAC(6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(OC2CCCC2)nc1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)12-22-7-9-23(10-8-22)16(24)13-5-6-15(21-11-13)25-14-3-1-2-4-14/h5-6,11,14H,1-4,7-10,12H2
InChIKeyXHFVFMSZWFLKDM-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.72
Rot. Bonds4

About (6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 163346738) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is (6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID163346738
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name(6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(OC2CCCC2)nc1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)12-22-7-9-23(10-8-22)16(24)13-5-6-15(21-11-13)25-14-3-1-2-4-14/h5-6,11,14H,1-4,7-10,12H2
InChIKeyXHFVFMSZWFLKDM-UHFFFAOYSA-N
XLogP2.72
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(6-fluoro-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 63979493
(6-cyclopentyloxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343117
(6-cyclopentyloxy-3-pyridinyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336194
(6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341679
5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 75484484
[(4S)-4-(dimethylamino)azepan-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 100636861
4-(6-cyclopentyloxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 120526097
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 67169308
pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone
CID 91625365
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 96500930
3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021042
(6-cyclopentyloxy-3-pyridinyl)-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333384

Frequently Asked Questions

What is the IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 163346738) is (6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is O=C(c1ccc(OC2CCCC2)nc1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is XHFVFMSZWFLKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c18-17(19,20)12-22-7-9-23(10-8-22)16(24)13-5-6-15(21-11-13)25-14-3-1-2-4-14/h5-6,11,14H,1-4,7-10,12H2.
What are the key properties of (6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 357.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 163346738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).