2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C15H25F3N2O2 — CID 109397664

IUPAC2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCCC(C(F)(F)F)C1)CC1CCCC1O
InChIInChI=1S/C15H25F3N2O2/c1-19(8-11-4-2-6-13(11)21)10-14(22)20-7-3-5-12(9-20)15(16,17)18/h11-13,21H,2-10H2,1H3
InChIKeyAGLBDYZLIPHZDL-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.88
Rot. Bonds4

About 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 109397664) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID109397664
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCCC(C(F)(F)F)C1)CC1CCCC1O
InChIInChI=1S/C15H25F3N2O2/c1-19(8-11-4-2-6-13(11)21)10-14(22)20-7-3-5-12(9-20)15(16,17)18/h11-13,21H,2-10H2,1H3
InChIKeyAGLBDYZLIPHZDL-UHFFFAOYSA-N
XLogP1.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71999950
1-(cyclopentylmethyl)-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-2-one
CID 97881354
N-{[1-(hydroxymethyl)cyclopentyl]methyl}-N-methyl-2-piperidin-1-ylacetamide
CID 124213398
2-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 55142322
2-[(2-hydroxycyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65838650
N-[(2-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79036742
1-(Cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one
CID 86792576
2-[(3R)-3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 97572403
2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 97572404
1-(cyclopentylmethyl)-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-2-one
CID 97881355
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109397928
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 109397933

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 109397664) is 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is CN(CC(=O)N1CCCC(C(F)(F)F)C1)CC1CCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is AGLBDYZLIPHZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c1-19(8-11-4-2-6-13(11)21)10-14(22)20-7-3-5-12(9-20)15(16,17)18/h11-13,21H,2-10H2,1H3.
What are the key properties of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 322.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 109397664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).