(2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone

C24H29F3N4O2 — CID 24736924

IUPAC(2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(C2CCN(Cc3ccc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C24H29F3N4O2/c1-33-21-5-3-2-4-20(21)23(32)31-14-12-30(13-15-31)19-8-10-29(11-9-19)17-18-6-7-22(28-16-18)24(25,26)27/h2-7,16,19H,8-15,17H2,1H3
InChIKeyGIFHCFXOYYGWRP-UHFFFAOYSA-N
MW462.52 g/mol
LogP3.53
Rot. Bonds5

About (2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone

(2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone (PubChem CID 24736924) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone
PubChem CID24736924
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC Name(2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(C2CCN(Cc3ccc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C24H29F3N4O2/c1-33-21-5-3-2-4-20(21)23(32)31-14-12-30(13-15-31)19-8-10-29(11-9-19)17-18-6-7-22(28-16-18)24(25,26)27/h2-7,16,19H,8-15,17H2,1H3
InChIKeyGIFHCFXOYYGWRP-UHFFFAOYSA-N
XLogP3.53
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

N-ethyl-4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,4-diazepane-1-carboxamide
CID 24736981
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(2-methoxyphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 141286639
morpholin-4-yl-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,4-diazepan-1-yl]methanone;hydrochloride
CID 24736958
(2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone
CID 56894068
1-[2-(benzenesulfonyl)ethyl]-4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,4-diazepane
CID 24736999
1-phenoxy-3-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]-1,4-diazepan-1-yl]propan-2-ol
CID 24736998
(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 56912164
(2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone
CID 796507
(4-benzylpiperazin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 30773012
(3,4-dimethoxyphenyl)-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 142654868
(2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122464

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone (CID 24736924) is (2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(C2CCN(Cc3ccc(C(F)(F)F)nc3)CC2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is GIFHCFXOYYGWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c1-33-21-5-3-2-4-20(21)23(32)31-14-12-30(13-15-31)19-8-10-29(11-9-19)17-18-6-7-22(28-16-18)24(25,26)27/h2-7,16,19H,8-15,17H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 462.52 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 24736924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).