(2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid

C17H21F3N2O4 — CID 56643224

IUPAC(2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCC1CC1C(=O)N1CCC(Oc2cccnc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N2O2.C2HF3O2/c1-11-9-14(11)15(18)17-7-4-12(5-8-17)19-13-3-2-6-16-10-13;3-2(4,5)1(6)7/h2-3,6,10-12,14H,4-5,7-9H2,1H3;(H,6,7)
InChIKeyKRUPXOYZRLENAT-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.74
Rot. Bonds3

About (2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid

(2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 56643224) has the molecular formula C17H21F3N2O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is (2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID56643224
Molecular FormulaC17H21F3N2O4
Molecular Weight374.36 g/mol
Exact Mass374.15
IUPAC Name(2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCC1CC1C(=O)N1CCC(Oc2cccnc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N2O2.C2HF3O2/c1-11-9-14(11)15(18)17-7-4-12(5-8-17)19-13-3-2-6-16-10-13;3-2(4,5)1(6)7/h2-3,6,10-12,14H,4-5,7-9H2,1H3;(H,6,7)
InChIKeyKRUPXOYZRLENAT-UHFFFAOYSA-N
XLogP2.74
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56643265
(2-iodophenyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 56643272
(2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 134071245
[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone;dihydrochloride
CID 155939898
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
1-[2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]indazole;bis(2,2,2-trifluoroacetic acid)
CID 154890199
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 46968195
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 95573565

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid (CID 56643224) is (2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid is CC1CC1C(=O)N1CCC(Oc2cccnc2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of (2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is KRUPXOYZRLENAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.C2HF3O2/c1-11-9-14(11)15(18)17-7-4-12(5-8-17)19-13-3-2-6-16-10-13;3-2(4,5)1(6)7/h2-3,6,10-12,14H,4-5,7-9H2,1H3;(H,6,7).
What are the key properties of (2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
(2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 374.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56643224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).