(2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone

C19H20F3N3O2 — CID 141286639

IUPAC(2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(Cc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H20F3N3O2/c1-27-17-5-3-2-4-16(17)18(26)25-10-8-24(9-11-25)13-15-7-6-14(12-23-15)19(20,21)22/h2-7,12H,8-11,13H2,1H3
InChIKeyLFCDWSFIMVVQME-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.07
Rot. Bonds4

About (2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone

(2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone (PubChem CID 141286639) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
PubChem CID141286639
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name(2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(Cc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H20F3N3O2/c1-27-17-5-3-2-4-16(17)18(26)25-10-8-24(9-11-25)13-15-7-6-14(12-23-15)19(20,21)22/h2-7,12H,8-11,13H2,1H3
InChIKeyLFCDWSFIMVVQME-UHFFFAOYSA-N
XLogP3.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108544120
[2-(2-methoxyethoxy)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55997456
(2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone
CID 24736924
(2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone
CID 56894068
(2-methoxyphenyl)-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl]methanone
CID 24736038
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709738
(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 56912164
[4,7-bis[[hydroxy(methyl)phosphoryl]methyl]-10-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl-methylphosphinic acid
CID 162536612
(2-methoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34555816
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 37278947
[4-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 55627344
N-[4-[4-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]piperazine-1-carbonyl]-3-methoxyphenyl]-2-(ethylideneamino)-3-methylbenzenesulfonamide
CID 156553877

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone (CID 141286639) is (2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(Cc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
The InChIKey is LFCDWSFIMVVQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-27-17-5-3-2-4-16(17)18(26)25-10-8-24(9-11-25)13-15-7-6-14(12-23-15)19(20,21)22/h2-7,12H,8-11,13H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone has a molecular weight of 379.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 141286639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).