[4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone

C26H34F2N2O2 — CID 18914223

IUPAC[4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(CC(C)C)CC2)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C26H34F2N2O2/c1-18(2)13-22-14-20(26(31)30-11-9-29(10-12-30)16-19(3)4)6-8-25(22)32-17-21-5-7-23(27)15-24(21)28/h5-8,14-15,18-19H,9-13,16-17H2,1-4H3
InChIKeyRAAIAJNZAWYPBO-UHFFFAOYSA-N
MW444.57 g/mol
LogP5.16
Rot. Bonds8

About [4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone

[4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 18914223) has the molecular formula C26H34F2N2O2 and a molecular weight of 444.57 g/mol. Its IUPAC name is [4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID18914223
Molecular FormulaC26H34F2N2O2
Molecular Weight444.57 g/mol
Exact Mass444.26
IUPAC Name[4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(CC(C)C)CC2)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C26H34F2N2O2/c1-18(2)13-22-14-20(26(31)30-11-9-29(10-12-30)16-19(3)4)6-8-25(22)32-17-21-5-7-23(27)15-24(21)28/h5-8,14-15,18-19H,9-13,16-17H2,1-4H3
InChIKeyRAAIAJNZAWYPBO-UHFFFAOYSA-N
XLogP5.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.57
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

4-(4-(((2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl)methyl)phenoxy)-3-fluorobenzamide
CID 44129648
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-(3-(trifluoromethyl)benzyl)-4-phenoxybenzamide
CID 11703439
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
CID 14783871
2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218485
2-{[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218486
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218495
(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
CID 99794612
{3-[4-(2-Isopropoxy-phenyl)-piperidin-1-ylmethyl]-phenyl}-piperidin-1-yl-methanone
CID 10409903
(4-Cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-[4-(trifluoromethyl)phenoxy]phenyl]methanone
CID 24855886
(4-Cyclopropyl-1,4-diazepan-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone
CID 24855918

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 18914223) is [4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)Cc1cc(C(=O)N2CCN(CC(C)C)CC2)ccc1OCc1ccc(F)cc1F.
What is the InChIKey of [4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is RAAIAJNZAWYPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2N2O2/c1-18(2)13-22-14-20(26(31)30-11-9-29(10-12-30)16-19(3)4)6-8-25(22)32-17-21-5-7-23(27)15-24(21)28/h5-8,14-15,18-19H,9-13,16-17H2,1-4H3.
What are the key properties of [4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
[4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 444.57 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-difluorophenyl)methoxy]-3-(2-methylpropyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 18914223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).