[4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C26H29F3N4O2 — CID 26341803

IUPAC[4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCN(Cc1ccc(OC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1)Cc1cnn(C)c1
InChIInChI=1S/C26H29F3N4O2/c1-31(17-20-15-30-32(2)18-20)16-19-7-9-21(10-8-19)35-22-11-13-33(14-12-22)25(34)23-5-3-4-6-24(23)26(27,28)29/h3-10,15,18,22H,11-14,16-17H2,1-2H3
InChIKeyYURKWRAQBVZZTR-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.75
Rot. Bonds7

About [4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 26341803) has the molecular formula C26H29F3N4O2 and a molecular weight of 486.54 g/mol. Its IUPAC name is [4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID26341803
Molecular FormulaC26H29F3N4O2
Molecular Weight486.54 g/mol
Exact Mass486.22
IUPAC Name[4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCN(Cc1ccc(OC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1)Cc1cnn(C)c1
InChIInChI=1S/C26H29F3N4O2/c1-31(17-20-15-30-32(2)18-20)16-19-7-9-21(10-8-19)35-22-11-13-33(14-12-22)25(34)23-5-3-4-6-24(23)26(27,28)29/h3-10,15,18,22H,11-14,16-17H2,1-2H3
InChIKeyYURKWRAQBVZZTR-UHFFFAOYSA-N
XLogP4.75
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-1-[4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 28810588
3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 103024106
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
[4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 55652403
(4-cyclobutyloxyphenyl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 136528671
(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86276608
(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119945105
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide
CID 67170379
4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 59559602
[5-(1-methylpyrazol-4-yl)-1-benzothiophen-3-yl]-(4-phenoxypiperidin-1-yl)methanone
CID 172556169
N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67167696

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 26341803) is [4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is CN(Cc1ccc(OC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1)Cc1cnn(C)c1.
What is the InChIKey of [4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is YURKWRAQBVZZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O2/c1-31(17-20-15-30-32(2)18-20)16-19-7-9-21(10-8-19)35-22-11-13-33(14-12-22)25(34)23-5-3-4-6-24(23)26(27,28)29/h3-10,15,18,22H,11-14,16-17H2,1-2H3.
What are the key properties of [4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 486.54 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 26341803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).